@article { ISI:000543643600004, title = {Double-atomic-layer Tl-Mg compound on a Si(111) surface with advanced electronic properties}, journal = {PHYSICAL REVIEW B}, volume = {101}, number = {{23}}, year = {2020}, note = {

n/a

}, month = {{JUN 26}}, pages = {235444}, abstract = {

n/a

}, issn = {{2469-9950}}, doi = {{10.1103/PhysRevB.101.235444}}, author = {A. Y. Tupchaya and Bondarenko, V. L. and Vekovshinin, Y. E. and A.A. Yakovlev and Mihalyuk, A. N. and Gruznev, D. and Hsing, C. R. and Wei, C. M. and Zotov, V. A. and Saranin, A. A.} } @article {4307, title = {Compositional Fluctuations Locked by Athermal Transformation Yielding High Thermoelectric Performance in GeTe}, journal = {Advanced Materials}, year = {2020}, author = {Yi-Fen Tsai and Pai-Chun Wei and Liuwen Chang and Kuang-Kuo Wang and Chun-Chuen Yang and Yen-Chung Lai and Cheng-Rong Hsing and Ching-Ming Wei and He, Jian and Snyder, G. Jeffrey and Hsin-Jay Wu} } @article {2020-01, title = {Electronic structures of 24-valence-electron full Heusler compounds investigated by density functional and GW calculations}, journal = {Journal of Physics: Condensed Matter}, volume = {32}, year = {2020}, note = {

n/a

}, pages = {175501}, abstract = {

n/a

}, author = {Hung-Wen Lee and Hsing, Cheng-Rong and Chang, Chun-Ming and Wei, Ching-Ming} } @article { ISI:000466411400004, title = {Theoretical study of quantum size effects in thin Al(100), Al(110), and Al(111) films}, journal = {PHYSICAL REVIEW B}, volume = {99}, number = {{20}}, year = {2019}, note = {

n/a

}, month = {{MAY 1}}, abstract = {

n/a

}, issn = {{2469-9950}}, doi = {{10.1103/PhysRevB.99.205401}}, author = {Nguyen, Duc-Long and Wei, Ching-Ming and Chou, Mei-Yin} } @article { ISI:000462921900099, title = {Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe}, journal = {ACS OMEGA}, volume = {4}, number = {{3}}, year = {2019}, note = {

n/a

}, month = {{MAR}}, pages = {5442-5450}, abstract = {

n/a

}, issn = {{2470-1343}}, doi = {{10.1021/acsomega.8b03323}}, author = {Wei, Pai-Chun and Bhattacharya, Sriparna and Liu, Yu-Fei and Liu, Fengjiao and He, Jian and Tung, Yung-Hsiang and Yang, Chun-Cheun and Hsing, Cheng-Rong and Nguyen, Duc-Long and Wei, Ching-Ming and Chou, Mei-Yin and Lai, Yen-Chung and Hung, Tsu-Lien and Guan, Syu-You and Chang, Chia-Seng and Wu, Hsin-Jay and Lee, Chi-Hung and Li, Wen-Hsien and Hermann, Raphael P. and Chen, Yang-Yuan and Rao, Apparao M.} } @article { ISI:000456849900002, title = {Observation of the nesting and defect-driven 1D incommensurate charge density waves phase in the 2D system}, journal = {JOURNAL OF PHYSICS-CONDENSED MATTER}, volume = {31}, number = {{11}}, year = {2019}, note = {

n/a

}, month = {{MAR 20}}, pages = {115402}, abstract = {

n/a

}, issn = {{0953-8984}}, doi = {{10.1088/1361-648X/aaf9ea}}, author = {Matetskiy, V, A. and Denisov, V, N. and Hsing, C. R. and Wei, C. M. and Zotov, V, A. and Saranin, A. A.} } @article { ISI:000455821100003, title = {High-pressure phases of MnCO3 by random structure search}, journal = {PHYSICAL REVIEW B}, volume = {99}, number = {{2}}, year = {2019}, note = {

n/a

}, month = {{JAN 14}}, pages = {024106}, abstract = {

n/a

}, issn = {{2469-9950}}, doi = {{10.1103/PhysRevB.99.024106}}, author = {Hung, Hao-Chien and Hsing, Cheng-Rong and Wei, Ching-Ming} } @article { ISI:000466052900065, title = {Photodriven Dipole Reordering: Key to Carrier Separation in Metalorganic Halide Perovskites}, journal = {ACS NANO}, volume = {13}, number = {{4}}, year = {2019}, note = {

n/a

}, month = {{APR}}, pages = {4402-4409}, abstract = {

n/a

}, issn = {{1936-0851}}, doi = {{10.1021/acsnano.8b09645}}, author = {Hsu, Hung-Chang and Huang, Bo-Chao and Chin, Shu-Cheng and Hsing, Cheng-Rong and Nguyen, Duc-Long and Schnedler, Michael and Raman Sankar and Dunin-Borkowski, Rafal E. and Wei, Ching-Ming and Chun-Wei Chen and Ebert, Philipp and Ya-Ping Chiu} } @article { ISI:000463885900007, title = {Substrate-mediated umklapp scattering at the incommensurate interface of a monatomic alloy layer1}, journal = {PHYSICAL REVIEW B}, volume = {99}, number = {{15}}, year = {2019}, note = {

n/a

}, month = {{APR 8}}, pages = {155408}, abstract = {

n/a

}, issn = {{2469-9950}}, doi = {{10.1103/PhysRevB.99.155408}}, author = {Chiniwar, Santosh and Huang, Angus and Chen, Ting-Yu and Lin, Chung-Huang and Hsing, Cheng-Rong and Chen, Wei-Chuan and Cheng, Cheng-Maw and Jeng, H-T and Wei, C. M. and Pai, Woei Wu and Tang, S-J} } @article {4305, title = {Quantum Monte Carlo Studies of CO Adsorption on Transition Metal Surfaces}, journal = {Journal of Physical Chemistry C }, volume = {123}, year = {2019}, pages = {15659-15664}, abstract = {

The adsorptions of CO molecule on various fcc(111) surfaces (Rh, Ir, Pt, and Cu) have been studied by diffusion quantum Monte Carlo (DMC) calculations, and the results show that the top site is the most stable adsorption site on all the four surfaces, in agreement with experiments. In particular, the site preference including the bridge site for CO/Pt(111) is predicted, i.e., the top site is most preferred followed by the bridge site while the hollow sites are much less favorable, in accordance with the existing experimental observations of the bridge-site adsorption, yet never on the hollow sites. Compared to the DMC results, density functional theory (DFT) calculations with the generalized-gradient approximation (GGA) predict very similar adsorption energies on the top site, but they overestimate those on the bridge and hollow sites. That is, although the nonlocal exchange-correlation contribution is small for the single-coordinated top-site adsorption, it is essential and required to be properly included for a correct description of the higher coordinated bridge- and hollow-sites adsorptions. These altogether explain why the top site adsorption for CO on Rh, Pt, and Cu(111) surfaces was not predicted correctly by the previous standard local or semilocal DFT calculations.

}, author = {Hsing, Cheng-Rong and Chang, Chun-Ming and Cheng, Ching and Wei, Ching-Ming} } @article {4306, title = {Theoretical prediction of superconductivity in monolayer CoO2}, journal = {Nanoscale}, volume = {11}, year = {2019}, pages = {17052-17057}, abstract = {

Motivated by the synthesis of the layered structure CoO2via Li atom deintercalation from LixCoO2, herein, we investigated the electronic structure, lattice dynamics, electron{\textendash}phonon interaction, and superconductivity of monolayer CoO2 using first-principles calculations. This 2D material was predicted to have a ferromagnetic ground state with a metallic band structure and the total magnetization of 0.83μB. Remarkably, the non-spin polarized calculations show that the monolayer CoO2 possesses phonon-mediated superconductivity at 25{\textendash}28 K owing to its intermediate to strong electron{\textendash}phonon coupling (EPC). The rather strong EPC in this compound is mainly driven by the acoustic phonons, making this compound one of the highest-temperature superconductors among the existing 2D materials. Moreover, the CoO2 sheets could be synthesized via exfoliation from bulk CoO2 owing to the relatively small interlayer binding energy while maintaining its stability under normal experimental conditions. Compared to its bulk and bilayer counterparts, monolayer CoO2 was found to have highest EPC.

}, author = {Nguyen, Duc-Long and Hsing, Cheng-Rong and Wei, Ching-Ming} } @article { ISI:000439428400030, title = {From C-60 {\textquoteleft}{\textquoteleft}trilliumons{{\textquoteright}{\textquoteright}} to {\textquoteleft}{\textquoteleft}trilliumenes:{{\textquoteright}{\textquoteright}} Self-assembili of 2D fullerene nanostructure on metal-covered silicon and germanium}, journal = {JOURNAL OF CHEMICAL PHYSICS}, volume = {149}, number = {{3}}, year = {2018}, note = {

n/a

}, month = {{JUL 21}}, pages = {034702}, abstract = {

n/a

}, issn = {{0021-9606}}, doi = {{10.1063/1.5038790}}, author = {Zotov, V. A. and Olyanich, D. A. and Mararov, V. V. and Utas, V. T. and Bondarenko, V. L. and A. Y. Tupchaya and Gruznev, D. and Mihalyuk, A. N. and Wei, C. M. and Wang, Y. L. and Saranin, A. A.} } @article { ISI:000417986300001, title = {(Tl, Au)/Si(111)root 7 x root 7 2D compound: an ordered array of identical Au clusters embedded in Tl matrix}, journal = {JOURNAL OF PHYSICS-CONDENSED MATTER}, volume = {30}, number = {{2}}, year = {2018}, note = {

n/a

}, month = {{JAN 17}}, pages = {025002}, abstract = {

n/a

}, issn = {{0953-8984}}, doi = {{10.1088/1361-648X/aa9e2d}}, author = {Mihalyuk, A. N. and Hsing, C. R. and Wei, C. M. and S.V. Eremeev and L. V. Bondarenko and A. Y. Tupchaya and Gruznev, D. V. and Zotov, A. V. and Saranin, A. A.} } @article {4308, title = {Expedite random structure searching using objects from Wyckoff positions}, journal = {JOURNAL OF CHEMICAL PHYSICS}, volume = {148}, year = {2018}, pages = {054101}, author = {Shu-Wei Wang and Hsing, Cheng-Rong and Wei, Ching-Ming} } @article { ISI:000392777800010, title = {One-atom-layer 4x4 compound in (Tl, Pb)/Si(111) system}, journal = {SURFACE SCIENCE}, volume = {657}, year = {2017}, note = {

n/a

}, month = {{MAR}}, pages = {63-68}, abstract = {

n/a

}, issn = {{0039-6028}}, doi = {{10.1016/j.susc.2016.11.004}}, author = {Mihalyuk, A. N. and Hsing, C. R. and Wei, C. M. and Gruznev, D. V. and L. V. Bondarenko and A. Y. Tupchaya and Zotov, A. V. and Saranin, A. A.} } @article { ISI:000417622500001, title = {2D Tl-Pb compounds on Ge(111) surface: atomic arrangement and electronic band structure}, journal = {JOURNAL OF PHYSICS-CONDENSED MATTER}, volume = {29}, number = {{3}}, year = {2017}, note = {

n/a

}, month = {{JAN 25}}, pages = {035001}, abstract = {

n/a

}, issn = {{0953-8984}}, doi = {{10.1088/0953-8984/29/3/035001}}, author = {Gruznev, D. V. and L. V. Bondarenko and Tupchaya. A. Y. and S.V. Eremeev and Mihalyuk, A. N. and Chou, J. P. and Wei, C. M. and Zotov, A. V. and Saranin, A. A.} } @article { ISI:000386107400014, title = {Dependence of Adenine Raman Spectrum on Excitation Laser Wavelength: Comparison between Experiment and Theoretical Simulations}, journal = {JOURNAL OF PHYSICAL CHEMISTRY A}, volume = {120}, number = {{41}}, year = {2016}, note = {

n/a

}, month = {{OCT 20}}, pages = {8114-8122}, abstract = {

n/a

}, issn = {{1089-5639}}, doi = {{10.1021/acs.jpca.6b08311}}, author = {Nergui, Navchtsetseg and Chen, Miin-Jang and Juen-Kai Wang and Wang, Yuh-Lin and Hsing, Cheng-Rong and Wei, Ching-Ming and Tupchaya, Kaito} } @article { ISI:000387538100006, title = {Ru2NbGa: A Heusler-type compound with semimetallic characteristics}, journal = {PHYSICAL REVIEW B}, volume = {94}, number = {{20}}, year = {2016}, note = {

n/a

}, month = {{NOV 9}}, abstract = {

n/a

}, issn = {{2469-9950}}, doi = {{10.1103/PhysRevB.94.205116}}, author = {Kuo, C. N. and Lee, H. W. and Wei, C. M. and Lin, Y. H. and Kuo, Y. K. and C. S. Lue} } @article { ISI:000379097000003, title = {Low-temperature one-atom-layer root 7 x root 7-In phase on Si(111)}, journal = {SURFACE SCIENCE}, volume = {649}, year = {2016}, note = {

n/a

}, month = {{JUL}}, pages = {14-19}, abstract = {

n/a

}, issn = {{0039-6028}}, doi = {{10.1016/j.susc.2016.01.016}}, author = {Mihalyuk, A. N. and Alekseev, A. A. and Hsing, C. R. and Wei, C. M. and Gruznev, D. V. and L. V. Bondarenko and Matetskiy, A. V. and A. Y. Tupchaya and Zotov, A. V. and Saranin, A. A.} } @article { ISI:000369506000050, title = {Structure prediction of the solid forms of methanol: an ab initio random structure searching approach}, journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, volume = {18}, number = {{4}}, year = {2016}, note = {

n/a

}, month = {{JAN 28}}, pages = {2736-2746}, abstract = {

n/a

}, issn = {{1463-9076}}, doi = {{10.1039/c5cp06583f}}, author = {Lin, Tzu-Jen and Hsing, Cheng-Rong and Wei, Ching-Ming and Jer-Lai Kuo} } @article {4309, title = {Synthesis of two-dimensional TlxBi1-x compounds and Archimedean encoding of their atomic structure}, journal = {SCIENTIFIC REPORTS}, volume = {6}, year = {2016}, pages = {19446}, author = {Dimitry V Gruznev and Leonid V Bondarenko and Andrey V Matetskiy and Alexey N Mihalyuk and Alexandra Y Tupchaya and Oleg A Utas and Sergey V Eremeev and Hsing, Cheng-Rong and Jyh-Pin Chou and Wei, Ching-Ming and Andrey V Zotov and Alexander A Saranin} } @article {2613, title = {Ru2NbGa: A Heusler-type compound with semimetallic characteristics}, journal = {Physical Review B}, volume = {94}, year = {2016}, note = {n/a}, pages = {205116}, abstract = {n/a}, author = {C. N. Kuo, H. W. Lee, and C. M. Wei, D. V. Gruznev, and Y. K. Kuo, and C. S. Lue} } @article { ISI:000351916300001, title = {Rapid detection of copper chlorophyll in vegetable oils based on surface-enhanced Raman spectroscopy}, journal = {FOOD ADDITIVES AND CONTAMINANTS PART A-CHEMISTRY ANALYSIS CONTROL EXPOSURE \& RISK ASSESSMENT}, volume = {32}, number = {{5}}, year = {2015}, note = {

n/a

}, month = {{MAY 4}}, pages = {627-634}, abstract = {

n/a

}, issn = {{1944-0049}}, doi = {{10.1080/19440049.2015.1014867}}, author = {Lian, Wei-Nan and Shiue, Jessie and Wang, Huai-Hsien and Hong, Wei-Chen and Shih, Po-Han and Hsu, Chao-Kai and Huang, Ching-Yi and Hsing, Cheng-Rong and Wei, Ching-Ming and Juen-Kai Wang and Wang, Yuh-Lin} } @article { ISI:000366092200013, title = {Atomic structure and electronic properties of the two-dimensional (Au, Al)/Si(111)2 x 2 compound}, journal = {PHYSICAL REVIEW B}, volume = {92}, number = {{24}}, year = {2015}, note = {

n/a

}, month = {{DEC 7}}, pages = {245407}, abstract = {

n/a

}, issn = {{1098-0121}}, doi = {{10.1103/PhysRevB.92.245407}}, author = {Gruznev, D. V. and L. V. Bondarenko and Matetskiy, A. V. and A. Y. Tupchaya and Chukurov, E. N. and Hsing, C. R. and Wei, C. M. and S.V. Eremeev and Zotov, A. V. and Saranin, A. A.} } @article { ISI:000353338800030, title = {Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach}, journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, volume = {17}, number = {{17}}, year = {2015}, note = {

n/a

}, pages = {11367-11374}, abstract = {

n/a

}, issn = {{1463-9076}}, doi = {{10.1039/c5cp00977d}}, author = {Putungan, Darwin Barayang and Lin, Shi-Hsin and Wei, Ching-Ming and Jer-Lai Kuo} } @article {2463, title = {Electronic band structure of a Tl/Sn atomic sandwich on Si(111)}, journal = {PHYSICAL REVIEW B}, volume = {91}, year = {2015}, note = {n/a}, pages = {035421}, abstract = {n/a}, author = {D. V. Gruznev, L. V. Bondarenko, A. V. Matetskiy, A. Y. Tupchaya, A. A. Alekseev, C. R. Hsing, C. M. Wei, S. V. Eremeev, A. V. and A. V. Matetskiy, A. Y. Tupchaya} } @article {2460, title = {Atomic structure and electronic properties of the In/Si(111)2{\texttimes}2 surface }, journal = {Physical Review B}, volume = {89}, year = {2014}, pages = {155310}, author = {Chou, J. P. and Wei, C. M. and Wang, Y. L. and Gruznev, D. V. and L. V. Bondarenko and Matetskiy, A. V. and A. Y. Tupchaya and Zotov, A. V. and Saranin, A. A.} } @article {2461, title = {A Strategy to Create Spin-Split Metallic Bands on Silicon Using a Dense Alloy Layer}, journal = {SCIENTIFIC REPORTS}, volume = {4}, year = {2014}, note = {

n/a

}, pages = {5}, abstract = {

n/a

}, author = {D.V. Dimitry and L. V. Bondarenko and Matetskiy, A. V. and A.A. Yakovlev and A. Y. Tupchaya and S.V. Eremeev and E.V. Chulkov and Chou, J. P. and Wei, C. M. and Lai, M. Y. and Wang, Y. L. and Zotov, A. V. and Saranin, A. A.} } @article {2462, title = {Van der Waals interaction in a boron nitride bilayer}, journal = {NEW JOURNAL OF PHYSICS}, volume = {16}, year = {2014}, note = {n/a}, pages = {9}, abstract = {n/a}, author = {Hsing, C. R. and Cheng, C. and Chou, J. P. and Chang, C. M. and Wei, C. M.} } @article { ISI:000323464000006, title = {Peculiar diffusion of C-60 on In-adsorbed Si(111)root 3 x root 3-Au surface}, journal = {SURFACE SCIENCE}, volume = {616}, year = {2013}, note = {

n/a

}, month = {{OCT}}, pages = {44-50}, abstract = {

n/a

}, issn = {{0039-6028}}, doi = {{10.1016/j.susc.2013.05.011}}, author = {Matetskiy, A. V. and L. V. Bondarenko and Gruznev, D. V. and Zotov, A. V. and Saranin, A. A. and Chou, J. P. and Hsing, C. R. and Wei, C. M. and Wang, Y. L.} } @article { ISI:000318872100036, title = {Stepwise self-assembly of C-60 mediated by atomic scale moir{\'e} magnifiers}, journal = {NATURE COMMUNICATIONS}, volume = {4}, year = {2013}, note = {

n/a

}, month = {{APR}}, pages = {1679}, abstract = {

Self-assembly of atoms or molecules on a crystal surface is considered one of the most promising methods to create molecular devices. Here we report a stepwise self-assembly of C60 molecules into islands with unusual shapes and preferred sizes on a gold{\textendash}indium-covered Si(111) surface. Specifically, 19-mer islands prefer a non-compact boomerang shape, whereas hexagonal 37-mer islands exhibit extraordinarily enhanced stability and abundance. The stepwise self-assembly is mediated by the moir{\'e} interference between an island with its underlying lattice, which essentially maps out the adsorption-energy landscape of a C60 on different positions of the surface with a lateral magnification factor and dictates the probability for the subsequent attachment of C60 to an island{\textquoteright}s periphery. Our discovery suggests a new method for exploiting the moir{\'e} interference to dynamically assist the self-assembly of particles and provides an unexplored tactic of engineering atomic scale moir{\'e} magnifiers to facilitate the growth of monodispersed mesoscopic structures.

}, issn = {{2041-1723}}, doi = {{10.1038/ncomms2706}}, author = {Gruznev, D. V. and Matetskiy, A. V. and L. V. Bondarenko and Utas, O. A. and Zotov, A. V. and Saranin, A. A. and Chou, J. P. and Wei, C. M. and Lai, M. Y. and Wang, Y. L.} } @article {2458, title = {New structural model for Na6Si3 surface magic cluster on the Si(111)-7x7 surface}, journal = {Surface Science}, volume = {616}, year = {2013}, pages = {137-142}, author = {Chou, J. P. and Hsing, C. R. and J.C. Chen and J.Y. Lee and Wei, C. M.} } @article {2457, title = {Quantum Monte Carlo studies of 13-atom simple metallic clusters}, journal = {PHYSICAL REVIEW B }, volume = {88}, year = {2013}, pages = {165412}, author = {Hsing, C. R. and P. L{\'o}pez R{\'\i}os and Needs, R. J. and Wei, C. M.} } @article {2459, title = {Stability and Electronic Properties of Two-Dimensional Silicene and Germanene on Graphene }, journal = {Physical Review B }, volume = {88}, year = {2013}, pages = {245408}, author = {Y. Cai and Chuu, C. P. and Wei, C. M. and Chou, M. Y.} } @article {600, title = {Ab-initio Random Structure Search for 13-atom clusters of fcc elements}, journal = {JOURNAL OF PHYSICS-CONDENSED MATTER}, volume = {25}, year = {2013}, note = {n/a}, pages = {125305}, abstract = {

The 13-atom metal clusters of fcc elements (Al, Rh, Ir, Ni, Pd, Pt, Cu, Ag, Au) were studied by density functional theory calculations. The global minima were searched for by the ab initio random structure searching method. In addition to some new lowest-energy structures for Pd13 and Au13, we found that the effective coordination numbers of the lowest-energy clusters would increase with the ratio of the dimer-to-bulk bond length. This correlation, together with the electronic structures of the lowest-energy clusters, divides the 13-atom clusters of these fcc elements into two groups (except for Au13, which prefers a two-dimensional structure due to the relativistic effect). Compact-like clusters that are composed exclusively of triangular motifs are preferred for elements without d-electrons (Al) or with (nearly) filled d-band electrons (Ni, Pd, Cu, Ag). Non-compact clusters composed mainly of square motifs connected by some triangular motifs (Rh, Ir, Pt) are favored for elements with unfilled d-band electrons.

}, url = {http://www.ncbi.nlm.nih.gov/pubmed/23449348}, author = {Chou, J. P. and Hsing, C. R. and Wei, C. M. and Cheng, C. and Chang, C. M.} } @article {599, title = {Dim C60 fullerenes on Si(111)-√3{\texttimes}√3-Ag surface}, journal = {Surface Science}, volume = {612}, year = {2013}, note = {n/a}, pages = {31-36}, abstract = {

Scanning tunneling microscopy (STM) observations of the close-packed C60 fullerene arrays on Si(111)
R3xR3-Ag surface have revealed the presence of dim C60 molecules which constitute 9{\textendash}12\% of all fullerenes. The dim C60 fullerenes reside ~1.6 A lower than the bright ({\textquotedblleft}normal{\textquotedblright}) C60.While the brightC60 are in continuous rotation, the dim C60 are fixed in one of the single orientations, indicating a more tight bonding to the surface. At room temperature (RT), the dynamic switching from bright to dim C60 and vice versa has been detected. Switching slows down with decreasing temperature and becomes completely frozen at 110 K, which implies that the switching is a thermally driven process. RT deposition of ~0.1 monolayer of Ag onto C60 array eliminates completely the dim C60 molecules. Experimental results can be understood if one assumes that formation of the dim C60 is associated with disintegration of Ag trimer on Si(111)R3xR3- Ag surface under a given C60 fullerene.

}, url = {http://www.sciencedirect.com/science/article/pii/S0039602813000587}, author = {Gruznev, D. V. and Matetskiy, A. V. and L. V. Bondarenko and Zotov, A. V. and Saranin, A. A. and Chou, J. P. and Wei, C. M. and Wang, Y. L.} } @article {624, title = {Quantum Monte Carlo investigations of adsorption energetics on graphene}, journal = {JOURNAL OF PHYSICS-CONDENSED MATTER}, volume = {24}, year = {2012}, note = {n/a}, pages = {395002}, abstract = {

We have performed calculations of adsorption energetics on the graphene surface using the state-of-the-art diffusion quantum Monte Carlo method. Two types of configurations are considered in this work: the adsorption of a single O, F, or H atom on the graphene surface and the H-saturated graphene system (graphane). The adsorption energies are compared with those obtained from density functional theory with various exchange-correlation functionals. The results indicate that the approximate exchange-correlation functionals significantly overestimate the binding of O and F atoms on graphene, although the preferred adsorption sites are consistent. The energy errors are much less for atomic hydrogen adsorbed on the surface. We also find that a single O or H atom on graphene has a higher energy than in the molecular state, while the adsorption of a single F atom is preferred over the gas phase. In addition, the energetics of graphane is reported. The calculated equilibrium lattice constant turns out to be larger than that of graphene, at variance with a recent experimental suggestion.

}, url = {http://iopscience.iop.org/0953-8984/24/39/395002/}, author = {Hsing, C. R. and Wei, C. M. and Chou, M. Y.} } @article {550, title = {Trimeric precursors in formation of Al magic clusters on a Si(111)-7 x 7 surface}, journal = {Physical Review B}, volume = {83}, number = {7}, year = {2011}, note = {

ISI Document Delivery No.: 717GPTimes Cited: 1Cited Reference Count: 26Cited References: Barth JV, 2005, NATURE, V437, P671, DOI 10.1038/nature04166 Brune H., 1998, SURF SCI REP, V31, P125, DOI 10.1016/S0167-5729(99)80001-6 Chen C. J., 1993, INTRO SCANNING TUNNE Cho KJ, 1998, SURF SCI, V396, pL261, DOI 10.1016/S0039-6028(97)00848-0 CHOU J, UNPUB Hohenberg P, 1964, PHYS REV, V136, pB684, DOI DOI 10.1103/PHYSREV.136.B864 Jia JF, 2002, APPL PHYS LETT, V80, P3186, DOI 10.1063/1.1474620 Jia JF, 2002, NANOTECHNOLOGY, V13, P736, DOI 10.1088/0957-4484/13/6/308 Jia JF, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165412 Li Jian-Long, 2002, Phys Rev Lett, V88, P066101, DOI 10.1103/PhysRevLett.88.066101 Kohn W., 1965, PHYS REV, V140, pA1135 Kotlyar VG, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165401 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 Lai MY, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.241404 Li RW, 2007, PHYS REV B, V76, DOI 10.1103/PhysRevB.76.075418 Li RW, 2006, NANOTECHNOLOGY, V17, P2018, DOI 10.1088/0957-4484/17/8/038 Li RW, 2006, APPL PHYS LETT, V89, DOI 10.1063/1.2337522 Li SC, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.116103 Pan MH, 2005, NANO LETT, V5, P87, DOI 10.1021/nl048925s RODER H, 1993, NATURE, V366, P141, DOI 10.1038/366141a0 Uchida H, 2004, PHYS STATUS SOLIDI B, V241, P1665, DOI 10.1002/pssb.200304687 Uchida H, 2004, SURF SCI, V566, P197, DOI 10.1016/j.susc.2004.06.107 Vitali L, 1999, PHYS REV LETT, V83, P316, DOI 10.1103/PhysRevLett.83.316 Wu KH, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.126101 Zhang C, 2005, PHYS REV LETT, V94, DOI 10.1103/PhysRevLett.94.176104Liu, Hongjun Chou, Jyh-Pin Li, Run-Wei Wei, Ching-Ming Miki, KazushiMinistry of Education, Culture, Sports, Science and Technology (MEXT) of Japan; Iketani Science and Technology Foundation; Japanese Society for the Promotion of Science; National Science Council of Taiwan [NSC96-2628-M-001-006-MY3, NSC99-2112-M-034-MY3]We thank Dr. James Owen for his comments and revision of the manuscript. We thank Dr. Canhua Liu for fruitful discussion. This research was partially supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan, Grant-in-Aid for Scientific Research, the Iketani Science and Technology Foundation, and the A3 Foresight Program of the Japanese Society for the Promotion of Science. This work was also supported in part by the National Science Council of Taiwan under Grants No. NSC96-2628-M-001-006-MY3 and No. NSC99-2112-M-034-MY3.AMER PHYSICAL SOCCOLLEGE PK

}, month = {Feb}, pages = {6}, type = {Article}, abstract = {

The formation process of Al magic clusters on the Si(111)-7 x 7 surface was investigated by means of a variable-temperature scanning tunneling microscope (STM) in situ and was interpreted using density-functional theory (DFT) calculations. At a growth temperature of 450 degrees C, Al atoms hopped among the corner, center, and T4 sites and also across the dimer rows on the Si(111)-7 x 7 surface. At low coverage below 0.08 ML, a single Al atom was adsorbed on the corner or center site. When the coverage was increased to 0.08 ML, Al dimers and trimers appeared, and Al magic clusters were also observed. However, no Al tetramers or pentamers were experimentally confirmed. Careful analysis of STM images suggests that Al trimers could be key precursors for the formation of Al magic clusters, and DFT calculations verified this interpretation. Total-energy calculation results using DFT reveal that this is due to the small energy gain from Al trimer to Al tetramer. These results are important for understanding the atomic structure and the formation mechanism of the magic clusters on the Si(111)-7 x 7 surface.

}, keywords = {ATOMS, DIFFUSION, NANOCLUSTER ARRAYS, NANOSTRUCTURES}, isbn = {1098-0121}, url = {://WOS:000287031900003}, author = {Liu, H. J. and Chou, J. P. and Li, R. W. and Wei, C. M. and Miki, K.} } @article {548, title = {Interplay between adsorbed C-60 fullerenes and point defects on a Si(111)root 3 x root 3-In reconstructed surface}, journal = {Surface Science}, volume = {605}, number = {23-24}, year = {2011}, note = {

ISI Document Delivery No.: 837EYTimes Cited: 1Cited Reference Count: 17Cited References: BEDROSSIAN P, 1990, NUCL INSTRUM METH B, V48, P296, DOI 10.1016/0168-583X(90)90126-F Felici R, 2005, NAT MATER, V4, P688, DOI 10.1038/nmat1456 HAMERS RJ, 1988, PHYS REV LETT, V60, P2527, DOI 10.1103/PhysRevLett.60.2527 Hibino H, 1996, PHYS REV B, V54, P5763, DOI 10.1103/PhysRevB.54.5763 KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 Li HI, 2009, PHYS REV LETT, V103, DOI 10.1103/PhysRevLett.103.056101 Owman F, 1996, SURF SCI, V359, P122, DOI 10.1016/0039-6028(96)00368-8 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Saranin AA, 2006, PHYS REV B, V74, DOI 10.1103/PhysRevB.74.035436 Saranin AA, 1997, SURF SCI, V388, P299, DOI 10.1016/S0039-6028(97)00414-7 Saranin AA, 1997, PHYS REV B, V56, P7449, DOI 10.1103/PhysRevB.56.7449 Torrelles X, 2010, PHYS REV B, V81, DOI 10.1103/PhysRevB.81.041404 van Gastel R, 2000, NATURE, V408, P665, DOI 10.1038/35047156 van Gastel R, 2001, PHYS REV LETT, V86, P1562, DOI 10.1103/PhysRevLett.86.1562Gruznev, D. V. Matetskiy, A. V. Zotov, A. V. Saranin, A. A. Chou, J. P. Wei, C. M. Wang, Y. L.Russian Foundation for Basic Research [09-02-00094, 09-02-98500]; Russian Federal Agency for Science and Innovations [02.740.11.0111, 4634.2010.2]; National Science Council of Taiwan [97-2923-M001-003-MY3]Part of this work was supported by the Russian Foundation for Basic Research (Grant Nos. 09-02-00094 and 09-02-98500), and the Russian Federal Agency for Science and Innovations (Grant Nos. 02.740.11.0111 and 4634.2010.2), and the National Science Council of Taiwan (Grant No. 97-2923-M001-003-MY3).ELSEVIER SCIENCE BVAMSTERDAM

}, month = {Dec}, pages = {2050-2054}, type = {Article}, abstract = {

Adsorption of C-60 onto Si(111)root 3 x root 3-In surface presents a fascinating example of interplay between molecular adsorbate and surface structural defects. It has been found that adsorbing C-60 molecules are trapped by the substitutional Si-defects. In turn, the group of a few adsorbed C-60 can act as a trap for the mobile vacancies of the root 3 x root 3-In reconstruction. Namely, adsorbed C-60 induces a strain in the indium layer, and when a mobile vacancy happens to get into the surface area surrounded by fullerenes, the In atoms between the C-60 and the vacancy shift from the T-4 to the H-3 sites, fixing a vacancy in a given location. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {ADSORPTION, Atom-solid interactions, ATOMS, DIFFUSION, Fullerence, Indium, METALS, ROOT 3-IN SURFACE, Scanning tunneling microscopy (STM), Silicon, STM, Surface structure}, isbn = {0039-6028}, url = {://WOS:000296175100019}, author = {Gruznev, D. V. and Matetskiy, A. V. and Zotov, A. V. and Saranin, A. A. and Chou, J. P. and Wei, C. M. and Wang, Y. L.} } @article {549, title = {Broken Even-Odd Symmetry in Self-Selection of Distances between Nanoclusters due to the Presence or Absence of Topological Solitons}, journal = {Physical Review Letters}, volume = {106}, number = {16}, year = {2011}, note = {

ISI Document Delivery No.: 757ODTimes Cited: 0Cited Reference Count: 21Cited References: Bird CF, 2003, PHYS REV B, V68, DOI 10.1103/PhysRevB.68.115318 Bunk O, 1998, APPL SURF SCI, V123, P104, DOI 10.1016/S0169-4332(97)00472-8 Chang HH, 2004, PHYS REV LETT, V92, DOI 10.1103/PhysRevLett.92.066103 Fukaya Y, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.126103 Hwang GS, 2000, SURF SCI, V465, pL789, DOI 10.1016/S0039-6028(00)00757-3 Li Jian-Long, 2002, Phys Rev Lett, V88, P066101, DOI 10.1103/PhysRevLett.88.066101 Kotlyar V G, 2003, Phys Rev Lett, V91, P026104, DOI 10.1103/PhysRevLett.91.026104 Lai MY, 1999, PHYS REV B, V60, P1764, DOI 10.1103/PhysRevB.60.1764 Lai MY, 1998, PHYS REV LETT, V81, P164, DOI 10.1103/PhysRevLett.81.164 Lai MY, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.241404 Liu F, 2001, PHYS REV LETT, V87, DOI 10.1103/PhysRevLett.87.126103 Moller FA, 1996, PHYS REV LETT, V77, P3165, DOI 10.1103/PhysRevLett.77.3165 Qin XR, 1997, SCIENCE, V278, P1444, DOI 10.1126/science.278.5342.1444 RAMSTAD A, 1995, PHYS REV B, V51, P14504, DOI 10.1103/PhysRevB.51.14504 Sagisaka K, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.146103 SHCHUKIN VA, REV MOD PHYS, V71, P1125 Smith AR, 1996, SCIENCE, V273, P226, DOI 10.1126/science.273.5272.226 Utas OA, 2010, SURF SCI, V604, P1116, DOI 10.1016/j.susc.2010.03.025 Wang YL, 2008, INT REV PHYS CHEM, V27, P317, DOI 10.1080/01442350801943708 WOLKOW RA, 1992, PHYS REV LETT, V68, P2636, DOI 10.1103/PhysRevLett.68.2636 Yokoyama T, 1999, PHYS REV B, V59, P12232, DOI 10.1103/PhysRevB.59.12232Lai, M. Y. Chou, J. P. Utas, O. A. Denisov, N. V. Kotlyar, V. G. Gruznev, D. Matetsky, A. Zotov, A. V. Saranin, A. A. Wei, C. M. Wang, Y. L.National Science Council, Taiwan [97-2923-M-001-003-MY3, 96-2120-M-001-002]; Russian Foundation for Basic Researches [08-02-92000, 09-02-98500, 09-02-00094]We thank K. P. Liu and Anthony Merer for fruitful discussions. This work is supported partly by National Science Council, Taiwan (Grants 97-2923-M-001-003-MY3 and 96-2120-M-001-002) and Russian Foundation for Basic Researches (Grants 08-02-92000, 09-02-98500 and 09-02-00094).AMER PHYSICAL SOCCOLLEGE PK

}, month = {Apr}, pages = {4}, type = {Article}, abstract = {

Depositing particles randomly on a 1D lattice is expected to result in an equal number of particle pairs separated by even or odd lattice units. Unexpectedly, the even-odd symmetry is broken in the self-selection of distances between indium magic-number clusters on a Si(100)-2 x 1 reconstructed surface. Cluster pairs separated by even units are less abundant because they are linked by silicon atomic chains carrying topological solitons, which induce local strain and create localized electronic states with higher energy. Our findings reveal a unique particle-particle interaction mediated by the presence or absence of topological solitons on alternate lattices.

}, keywords = {NANOSTRUCTURES, SI(001) SURFACE, SURFACE MAGIC CLUSTERS}, isbn = {0031-9007}, url = {://WOS:000290096400019}, author = {Lai, M. Y. and Chou, J. P. and Utas, O. A. and Denisov, N. V. and Kotlyar, V. G. and Gruznev, D. and Matetsky, A. and Zotov, A. V. and Saranin, A. A. and Wei, C. M. and Wang, Y. L.} } @article { ISI:000279497700008, title = {Cooperative phenomena in self-assembled nucleation of 3 x 4-In/Si(100) surface magic clusters}, journal = {SURFACE SCIENCE}, volume = {604}, number = {{13-14}}, year = {2010}, note = {

n/a

}, month = {{JUL 15}}, pages = {1116-1120}, abstract = {

n/a

}, issn = {{0039-6028}}, doi = {{10.1016/j.susc.2010.03.025}}, author = {Utas, O. A. and Denisov, N. V. and Kotlyar, V. G. and Zotov, A. V. and Saranin, A. A. and Chou, J. P. and Lai, M. Y. and Wei, C. M. and Wang, Y. L.} } @article { ISI:000262168000033, title = {Surface Raman Spectroscopy of trans-Stilbene on Ag/Ge(111): Surface-Induced Effects}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, volume = {113}, number = {{1}}, year = {2009}, note = {

n/a

}, month = {{JAN 8}}, pages = {208-212}, abstract = {

n/a

}, issn = {{1932-7447}}, doi = {{10.1021/jp806936d}}, author = {Chou, Li-Wei and Lee, Ya-Rong and Wei, Ching-Ming and Jiang, Jyh-Chiang and Lin, Jiing-Chyuan and Juen-Kai Wang} } @article { ISI:000273854100024, title = {Surface vs. bulk electronic structure of silver determined by photoemission}, journal = {EPL}, volume = {88}, number = {{6}}, year = {2009}, note = {

n/a

}, month = {{DEC}}, pages = {67004}, abstract = {

n/a

}, issn = {{0295-5075}}, doi = {{10.1209/0295-5075/88/67004}}, author = {Speer, N. J. and Brinkley, M. K. and Liu, Y. and Wei, C. M. and Miller, T. and Chiang, T. -C.} } @article {545, title = {Structural properties of Cu clusters on Si(111):Cu2Si magic family}, journal = {Surface Science}, volume = {603}, number = {18}, year = {2009}, note = {

ISI Document Delivery No.: 504TNTimes Cited: 3Cited Reference Count: 32Cited References: Ahn JR, 2005, PHYS REV B, V72, DOI 10.1103/PhysRevB.72.113309 Chang HH, 2004, PHYS REV LETT, V92, DOI 10.1103/PhysRevLett.92.066103 De Santis M, 2001, SURF SCI, V477, P179, DOI 10.1016/S0039-6028(01)00708-7 Ho MS, 2007, SURF SCI, V601, P3974, DOI 10.1016/j.susc.2007.04.100 Jia JF, 2002, APPL PHYS LETT, V80, P3186, DOI 10.1063/1.1474620 Jia JF, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165412 Li Jian-Long, 2002, Phys Rev Lett, V88, P066101, DOI 10.1103/PhysRevLett.88.066101 Kawasaki T, 2001, SURF SCI, V487, P39, DOI 10.1016/S0039-6028(01)00895-0 KOHN W, 1965, PHYS REV, V140, P1133 KOSHIKAWA T, 1995, SURF SCI, V331, P506, DOI 10.1016/0039-6028(95)00267-7 Kotlyar VG, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165401 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 KRESSE G, 1993, PHYS REV B, V47, P559 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Lai MY, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.241404 Li SC, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.116103 Mebel AM, 2000, CHEM PHYS LETT, V318, P27, DOI 10.1016/S0009-2614(99)01438-4 Neff HJ, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.235415 Ohtake A, 2006, PHYS REV B, V73, DOI 10.1103/PhysRevB.73.033301 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 STTOSCH H, 1989, SURF SCI, V211, P133 Takeuchi N, 2001, PHYS REV B, V63, DOI 10.1103/PhysRevB.63.245325 Wang YL, 2008, INT REV PHYS CHEM, V27, P317, DOI 10.1080/01442350801943708 Wu KH, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.126101 YASUE T, 1993, SURF SCI, V287, P1025, DOI 10.1016/0039-6028(93)91120-E ZEGENHAGEN J, 1992, PHYS REV B, V46, P1860, DOI 10.1103/PhysRevB.46.1860 Zhang LX, 2005, PHYS REV B, V72, DOI 10.1103/PhysRevB.72.033315 Zhang YP, 2003, SURF SCI, V531, pL378, DOI 10.1016/S0039-6028(03)00545-4 Zhang YP, 2007, PHYS REV B, V75, DOI 10.1103/PhysRevB.75.073407 Zotov AV, 2008, SURF SCI, V602, P391, DOI 10.1016/j.susc.2007.10.032Saranin, A. A. Zotov, A. V. Utas, O. A. Kotlyar, V. G. Wei, C. M. Wang, Y. L.Russian Foundation for Basic Research [09-02-00094, 08-02-92000-nnc]Part of this work was supported by Russian Foundation for Basic Research (Grants Nos. 09-02-00094 and 08-02-92000-nnc).ELSEVIER SCIENCE BVAMSTERDAM

}, month = {Sep}, pages = {2874-2878}, type = {Article}, abstract = {

Basing on the results of the scanning tunneling microscopy (STM) observations and density functional theory (DFT) calculations, the structural model for the Cu magic clusters formed on Si(1 1 1)7 x 7 surface has been proposed. Using STM, composition of the Cu magic clusters has been evaluated from the quantitative analysis of the Cu and Si mass transport occurring during magic cluster converting into the Si(1 1 1){\textquoteright}5.5 x 5.5{\textquoteright}-Cu reconstruction upon annealing. Evaluation yields that Cu magic cluster accommodates similar to 20 Cu atoms with similar to 20 Si atoms being expelled from the corresponding 7 x 7 half unit cell (HUC). In order to fit these values, it has been suggested that the Cu magic clusters resemble fragments of the Cu2Si-silicide monolayer incorporated into the rest-atom layer of the Si(1 1 1)7 x 7 HUCs. Using DFT calculations, stability of the nineteen models has been tested of which five models appeared to have formation energies lower than that of the original Si(1 1 1)7 x 7 surface. The three of five models having the lowest formation energies have been concluded to be the most plausible ones. They resemble well the evaluated composition and their counterparts are found in the experimental STM images. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {and topography, Atom-solid interactions, ATOMIC-STRUCTURE, copper, CU/SI(111), DYNAMICS, GROWTH, morphology, roughness, Scanning tunneling microscopy (STM), Silicon, SURFACE, Surface structure, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET}, isbn = {0039-6028}, url = {://WOS:000270640700008}, author = {Saranin, A. A. and Zotov, A. V. and Utas, O. A. and Kotlyar, V. G. and Wei, C. M. and Wang, Y. L.} } @article {541, title = {13-atom metallic clusters studied by density functional theory: Dependence on exchange-correlation approximations and pseudopotentials}, journal = {Physical Review B}, volume = {80}, number = {16}, year = {2009}, note = {

ISI Document Delivery No.: 513VLTimes Cited: 10Cited Reference Count: 37Cited References: Aguilera-Granja F, 2008, PHYS REV B, V78, DOI 10.1103/PhysRevB.78.134425 Aiken JD, 1999, J MOL CATAL A-CHEM, V145, P1, DOI 10.1016/S1381-1169(99)00098-9 Bae YC, 2004, PHYS REV B, V70, DOI 10.1103/PhysRevB.70.195413 Bae YC, 2005, PHYS REV B, V72, DOI 10.1103/PhysRevB.72.125427 Baletto F, 2005, REV MOD PHYS, V77, P371, DOI 10.1103/RevModPhys.77.371 BLOCHL PE, 1994, PHYS REV B, V50, P17953, DOI 10.1103/PhysRevB.50.17953 Bobadova-Parvanova P, 2003, PHYS REV A, V67, DOI 10.1103/PhysRevA.67.061202 Chang CM, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.133401 Cheng HS, 1996, PHYS REV LETT, V77, P51, DOI 10.1103/PhysRevLett.77.51 Futschek T, 2006, J PHYS-CONDENS MAT, V18, P9703, DOI 10.1088/0953-8984/18/42/016 Hakkinen H, 2000, PHYS REV B, V62, pR2287, DOI 10.1103/PhysRevB.62.R2287 Hakkinen H, 2002, PHYS REV LETT, V89, DOI 10.1103/PhysRevLett.89.033401 Hakkinen H, 2003, J PHYS CHEM A, V107, P6168, DOI 10.1021/jp035437i HOHENBERG P, 1964, PHYS REV B, V136, pB864, DOI 10.1103/PhysRev.136.B864 Hsing CR, 2009, PHYS REV B, V79, DOI 10.1103/PhysRevB.79.245401 Khanna SN, 2003, CHEM PHYS LETT, V378, P374, DOI 10.1016/S0009-2614(03)01235-1 KHANNA SN, 2003, QUANTUM PHENOMENA CL KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kumar V, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.144413 Kumar V, 2003, EUR PHYS J D, V24, P81, DOI 10.1140/epjd/e2003-00193-6 Kumar V, 2002, PHYS REV B, V65, DOI 10.1103/PhysRevB.65.125403 Longo RC, 2006, PHYS REV B, V74, DOI 10.1103/PhysRevB.74.193409 Nayak SK, 1998, CHEM PHYS LETT, V289, P473, DOI 10.1016/S0009-2614(98)00475-8 Oviedo J, 2002, J CHEM PHYS, V117, P9548, DOI 10.1063/1.1524154 Payne FW, 2006, PHYS REV LETT, V97, DOI 10.1103/PhysRevLett.97.193401 PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Rogan J, 2006, J CHEM PHYS, V125, DOI 10.1063/1.2402168 Sakurai M, 1999, J CHEM PHYS, V111, P235, DOI 10.1063/1.479268 Schmid G, 1999, CHEM SOC REV, V28, P179, DOI 10.1039/a801153b Service RF, 1996, SCIENCE, V271, P920, DOI 10.1126/science.271.5251.920 Sun Y, 2008, PHYS REV B, V77, DOI 10.1103/PhysRevB.77.075435 VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892 Wang LL, 2005, J PHYS CHEM B, V109, P23113, DOI 10.1021/jp0555347 Wang LL, 2007, PHYS REV B, V75, DOI 10.1103/PhysRevB.75.235405Chou, J. P. Chen, H. Y. T. Hsing, C. R. Chang, C. M. Cheng, C. Wei, C. M.National Science Council of Taiwan [96-2628-M001-006-MY3]; National Center for Theoretical Sciences (NCTS); National Center for High-Performance Computing (NCHC) in TaiwanThis work was supported in part by the National Science Council of Taiwan under Grant No. 96-2628-M001-006-MY3. We also acknowledge the National Center for Theoretical Sciences (NCTS) and computing resources from the National Center for High-Performance Computing (NCHC) in Taiwan.AMER PHYSICAL SOCCOLLEGE PK

}, month = {Oct}, pages = {10}, type = {Article}, abstract = {

In this study, the 13-atom cluster structures of alkaline metals, alkaline-earth metals, boron group metals, carbon group metals, and 3d, 4d, and 5d transition metals in the periodic table are investigated by density functional theory with three kinds of exchange-correlation (XC) functionals: (i) local-density approximation (LDA); (ii) generalized gradient approximation (GGA) with Perdew-Wang 91; and (iii) generalized gradient approximation with Perdew-Burke-Ernzerhof. The dependence on pseudopotentials (PPs) with and without semicore electrons is also examined. The relative energies of five selected high-symmetry three-dimensional and four low-symmetry layer-type isomers for each element of interest are calculated and studied. Among the 44 metallic 13-atom clusters, our results show that the two GGA XC functionals have a great consistency; LDA and GGA results also reveal a great consistency, apart from the Cr, Mn, Fe, Co, Ni, and Rh 13-atom clusters, for which the results show a significant difference. Meanwhile, for most of the elements, the calculations with and without semicore PPs also produce consistent results, except for Cr, Mo, and V, which require a careful treatment of semicore states in the PPs.

}, keywords = {GENERALIZED GRADIENT APPROXIMATION, MAGNETISM, NANOCLUSTERS, RU, TIME, TRANSITION}, isbn = {1098-0121}, url = {://WOS:000271352100121}, author = {Chou, J. P. and Chen, H. Y. T. and Hsing, C. R. and Chang, C. M. and Cheng, C. and Wei, C. M.} } @article {544, title = {Quantum Monte Carlo studies of covalent and metallic clusters: Accuracy of density functional approximations}, journal = {Physical Review B}, volume = {79}, number = {24}, year = {2009}, note = {

ISI Document Delivery No.: 466XVTimes Cited: 14Cited Reference Count: 39Cited References: Aiken JD, 1999, J MOL CATAL A-CHEM, V145, P1, DOI 10.1016/S1381-1169(99)00098-9 An W, 2005, J CHEM PHYS, V122, DOI 10.1063/1.1903946 An W, 2006, J CHEM PHYS, V124, DOI 10.1063/1.2187003 Baletto F, 2005, REV MOD PHYS, V77, P371, DOI 10.1103/RevModPhys.77.371 Belau L, 2007, J AM CHEM SOC, V129, P10229, DOI 10.1021/ja072526q BRABEC CJ, 1992, PHYS REV B, V46, P7326, DOI 10.1103/PhysRevB.46.7326 Castro A, 2002, J CHEM PHYS, V116, P1930, DOI 10.1063/1.1430737 Drummond ND, 2005, PHYS REV B, V72, DOI 10.1103/PhysRevB.72.085124 Drummond ND, 2004, PHYS REV B, V70, DOI 10.1103/PhysRevB.70.235119 Dugourd P, 1998, PHYS REV LETT, V80, P4197, DOI 10.1103/PhysRevLett.80.4197 Foulkes WMC, 2001, REV MOD PHYS, V73, P33, DOI 10.1103/RevModPhys.73.33 Greeff CW, 1998, J CHEM PHYS, V109, P1607, DOI 10.1063/1.476734 Grimme S, 2002, CHEMPHYSCHEM, V3, P207, DOI 10.1002/1439-7641(20020215)3:2\<207::AID-CPHC207\>3.0.CO;2-$\#$ GROSSMAN JC, 1995, PHYS REV LETT, V75, P3870, DOI 10.1103/PhysRevLett.75.3870 Grossman JC, 2002, J CHEM PHYS, V117, P1434, DOI 10.1063/1.1487829 Gruene P, 2008, SCIENCE, V321, P674, DOI 10.1126/science.1161166 Henry C. R., 1998, SURF SCI REP, V31, P231, DOI 10.1016/S0167-5729(98)00002-8 Kent PRC, 2000, PHYS REV B, V62, P15394, DOI 10.1103/PhysRevB.62.15394 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Li J, 2003, SCIENCE, V299, P864, DOI 10.1126/science.1079879 Li X, 2007, SCIENCE, V315, P356, DOI 10.1126/science.1133767 Mitas L, 2000, PHYS REV LETT, V84, P1479, DOI 10.1103/PhysRevLett.84.1479 NEEDS R, 2007, CASINO VERSION 2 1 U PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Pillai S, 2007, J APPL PHYS, V101, DOI 10.1063/1.2734885 Prinzbach H, 2000, NATURE, V407, P60, DOI 10.1038/35024037 RAPPE AM, 1990, PHYS REV B, V41, P1227, DOI 10.1103/PhysRevB.41.1227 Roduner E, 2006, CHEM SOC REV, V35, P583, DOI 10.1039/b502142c Rossi G, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.105503 Segall MD, 2002, J PHYS-CONDENS MAT, V14, P2717, DOI 10.1088/0953-8984/14/11/301 Sokolova S, 2000, CHEM PHYS LETT, V323, P229, DOI 10.1016/S0009-2614(00)00554-6 Sun C, 2008, ADV DRUG DELIVER REV, V60, P1252, DOI 10.1016/j.addr.2008.03.018 Trail JR, 2005, J CHEM PHYS, V122, DOI 10.1063/1.1829049 Trail JR, 2005, J CHEM PHYS, V122, DOI 10.1063/1.1888569 UMRIGAR CJ, 1988, PHYS REV LETT, V60, P1719, DOI 10.1103/PhysRevLett.60.1719 Wahlstrom E, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.026101Hsing, C. R. Wei, C. M. Drummond, N. D. Needs, R. J.National Science Council of Taiwan [96-2628-M001-006MY3, 96-2120-M-002-010]; Academia Sinica Research Program on Nanoscience and Nanotechnology; National Center for Theoretical Sciences (NCTS); National Center for High-Performance Computing (NCHC) in Taiwan; Jesus College, CambridgeThis work was supported in part by the National Science Council of Taiwan under Grants No. 96-2628-M001-006MY3 (C.R.H. and C.M.W.) and No. 96-2120-M-002-010 (C.M.W.). We also acknowledge the Academia Sinica Research Program on Nanoscience and Nanotechnology, the National Center for Theoretical Sciences (NCTS) and computing resources from the National Center for High-Performance Computing (NCHC) in Taiwan (C.R.H. and C.M.W.). N.D.D. acknowledges support from Jesus College, Cambridge.AMER PHYSICAL SOCCOLLEGE PK

}, month = {Jun}, pages = {5}, type = {Article}, abstract = {

To assess the accuracy of exchange-correlation approximations within density functional theory (DFT), diffusion quantum Monte Carlo (DMC) and DFT methods are used to calculate the energies of isomers of three covalently bonded carbon and boron clusters (C(20), B(18), and B(20)), and three metallic aluminum and copper clusters (Al(13), Al(55), and Cu(13)). We find that local and semilocal DFT methods predict the same energy ordering as DMC for the metallic clusters but not for the covalent clusters, implying that the DFT functionals are inadequate in such systems. In addition, we find that DFT fails to describe energy reductions arising from Jahn-Teller distortions..

}, keywords = {aluminium, atomic clusters, boron, C-20, carbon, CARBON CLUSTERS, copper, density functional, FULLERENE, GAS-PHASE, GENERALIZED GRADIENT APPROXIMATION, Jahn-Teller effect, metal clusters, Monte Carlo methods, NANOCLUSTERS, SIMULATION, SPECTROSCOPY, STABILITY, theory, TRANSITION}, isbn = {1098-0121}, url = {://WOS:000267699700108}, author = {Hsing, C. R. and Wei, C. M. and Drummond, N. D. and Needs, R. J.} } @article {542, title = {Promotion of CO Oxidation on Bimetallic Au-Ag(110) Surfaces: A Combined Microscopic and Theoretical Study}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {30}, year = {2009}, note = {

ISI Document Delivery No.: 473TZTimes Cited: 6Cited Reference Count: 48Cited References: Baxter RJ, 2002, J CHEM PHYS, V116, P4379, DOI 10.1063/1.1458938 BOWKER M, 1980, SURF SCI, V92, P528, DOI 10.1016/0039-6028(80)90221-6 Burgel C, 2008, J AM CHEM SOC, V130, P1694, DOI 10.1021/ja0768542 Burghaus U, 1997, SURF SCI, V370, P17, DOI 10.1016/S0039-6028(96)00929-6 Burghaus U, 1996, SURF SCI, V352, P201, DOI 10.1016/0039-6028(95)01131-5 CAMPBELL CT, 1990, ANNU REV PHYS CHEM, V41, P775, DOI 10.1146/annurev.physchem.41.1.775 CHAN CT, 1992, PHYS REV LETT, V69, P1672, DOI 10.1103/PhysRevLett.69.1672 Chan YL, 2004, J PHYS CHEM B, V108, P815, DOI 10.1021/jp036917c Chang CM, 2008, J CHEM PHYS, V128, DOI 10.1063/1.2841364 Derry GN, 2004, SURF SCI, V566, P862, DOI 10.1016/j.susc.2004.06.022 ENGELHARDT HA, 1976, SURF SCI, V57, P591, DOI 10.1016/0039-6028(76)90350-2 ERTL G, 1994, SURF SCI, V299, P742, DOI 10.1016/0039-6028(94)90694-7 Ferrando R, 2008, CHEM REV, V108, P845, DOI 10.1021/cr040090g Friedrich KA, 2000, ELECTROCHIM ACTA, V45, P3283, DOI 10.1016/S0013-4686(00)00430-8 Gottfried JM, 2002, SURF SCI, V511, P65, DOI 10.1016/S0039-6028(02)01555-8 Grob A, 2006, TOP CATAL, V37, P29 HAFTEL MI, 1994, PHYS REV LETT, V72, P1858, DOI 10.1103/PhysRevLett.72.1858 Hayoz J, 1999, PHYS REV B, V59, P15975, DOI 10.1103/PhysRevB.59.15975 Hayoz J, 1999, SURF SCI, V433, P104, DOI 10.1016/S0039-6028(99)00081-3 HIRSCHORN ES, 1995, SURF SCI, V323, pL299, DOI 10.1016/0039-6028(94)00750-0 HOHENBERG P, 1964, PHYS REV B, V136, pB864, DOI 10.1103/PhysRev.136.B864 JOOS B, 1991, PHYS REV B, V43, P8153, DOI 10.1103/PhysRevB.43.8153 KOHN W, 1965, PHYS REV, V140, P1133 Kondarides DI, 1996, J CATAL, V158, P363, DOI 10.1006/jcat.1996.0038 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 Landon P, 2003, PHYS CHEM CHEM PHYS, V5, P1917, DOI 10.1039/b211338b Liu JH, 2005, J PHYS CHEM B, V109, P40, DOI 10.1021/jp044938g MILS G, 1995, SURF SCI, V324, P305 Muller S, 2003, J PHYS-CONDENS MAT, V15, pR1429 Nakagoe O, 2005, J PHYS CHEM B, V109, P14536, DOI 10.1021/jp0512154 Nakagoe O, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.226105 Norskov JK, 2002, J CATAL, V209, P275, DOI 10.1006/jcat.2002.3615 OZCOMERT JS, 1994, PHYS REV LETT, V72, P258, DOI 10.1103/PhysRevLett.72.258 Pai WW, 1996, PHYS REV B, V53, P15997, DOI 10.1103/PhysRevB.53.15997 PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 RODRIGUEZ JA, 1996, SURF SCI REP, V24, P123 Rodriguez JA, 1995, ACCOUNTS CHEM RES, V28, P477, DOI 10.1021/ar00060a001 Rodriguez JA, 2006, PROG SURF SCI, V81, P141, DOI 10.1016/j.progsurf.2006.02.001 RODRIGUEZ JA, 1992, SCIENCE, V257, P897, DOI 10.1126/science.257.5072.897 ROUSSET S, 1992, PHYS REV LETT, V69, P3200, DOI 10.1103/PhysRevLett.69.3200 SCHIMIZU T, 1993, SURF SCI, V295, pL1017 SINFELT JH, 1987, ACCOUNTS CHEM RES, V20, P134, DOI 10.1021/ar00136a002 Takanabe K, 2005, J CATAL, V232, P268, DOI 10.1016/j.jcat.2005.03.011 VATTUONE L, 1994, J CHEM PHYS, V101, P713, DOI 10.1063/1.468127 Wang AQ, 2005, J CATAL, V233, P186, DOI 10.1016/j.jcat.2005.04.028 Wang AQ, 2005, J PHYS CHEM B, V109, P18860, DOI 10.1021/jp051530q WANG Y, 1991, PHYS REV B, V44, P13298, DOI 10.1103/PhysRevB.44.13298 Wintterlin J, 1997, SCIENCE, V278, P1931, DOI 10.1126/science.278.5345.1931Chou, Jyh-Pin Pai, Woei Wu Kuo, Ching-Chang Lee, Jian Der Lin, Chien Hong Wei, Ching-MingNSC-TaiwanThe research was supported by NSC-Taiwan. We are grateful to the computing centers of Academia Sinica and National Taiwan University for providing computation resources. We thank Prof. K. C. Lin and Prof. C. Y. Mou for useful discussion.AMER CHEMICAL SOCWASHINGTON

}, month = {Jul}, pages = {13151-13159}, type = {Article}, abstract = {

The clean-off reaction of AgO added rows by CO on Ag(110) and Au/Ag(110) bimetallic surfaces was studied by scanning tunneling microscopy (STM) and compared with density functional theory (DFT). This combined study of a model system illustrated the complexity of catalytic enhancement in bimetallic systems. By analyzing in situ time-lapsed STM image series, we found that CO oxidation on a Au-enriched Ag(110) surface leads to an exponential depletion of oxygen with time and a reaction rate that is synergistically enhanced by the presence of Au. First principles calculations indicate that the local atomic configuration around the active reaction sites at the chain ends and the preference of An atom substitution into the subsurface second Ag layer are of critical importance. By calculating CO adsorption energies and reaction barriers for plausible reaction pathways, a detailed description of the CO oxidation reaction emerges, For the optimal reaction pathway, a large (similar to 0.09 eV) barrier reduction and a small barrier of similar to 0.01 eV were found for the Eley-Rideal (ER) mechanism. In contrast, a small (similar to 0.03 eV) barrier reduction and a moderate barrier of similar to 0.23 eV were obtained for the Langmuir-Hinshelwood (LH) mechanism. The ER transitional state was also found to be lower in energy. We conclude that, irrespective of whether the ER mechanism is actually rate dominating, it is definitively enhanced.

}, keywords = {AG(110), AU, CATALYTIC-ACTIVITY, CLUSTERS, ELECTRON-GAS, FILM DEPOSITION, GROWTH, INDUCED ADSORPTION, NANOPARTICLES, OXYGEN}, isbn = {1932-7447}, url = {://WOS:000268233800038}, author = {Chou, J. P. and Pai, W. W. and Kuo, C. C. and Lee, J. D. and Lin, C. H. and Wei, C. M.} } @article {546, title = {Surface vs. bulk electronic structure of silver determined by photoemission}, journal = {Epl}, volume = {88}, number = {6}, year = {2009}, note = {

ISI Document Delivery No.: 546ZKTimes Cited: 4Cited Reference Count: 24Cited References: Aballe L, 2002, PHYS REV B, V65, DOI 10.1103/PhysRevB.65.125319 CAMPUZANO JC, 2004, PHYS SUPERCONDUCTORS Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 COURTHS R, 1987, SOLID STATE COMMUN, V61, P257, DOI 10.1016/0038-1098(87)91014-3 Damascelli A, 2003, REV MOD PHYS, V75, P473, DOI 10.1103/RevModPhys.75.473 HEIMANN P, 1979, PHYS REV B, V20, P3059, DOI 10.1103/PhysRevB.20.3059 Himpsel FJ, 1998, ADV PHYS, V47, P511, DOI 10.1080/000187398243519 HO KM, 1983, J ELECTROANAL CHEM, V150, P235, DOI 10.1016/S0022-0728(83)80206-X Hufner S., 2003, PHOTOELECTRON SPECTR Kawakami RK, 1999, NATURE, V398, P132 KEVAN SD, 1987, PHYS REV B, V36, P5809, DOI 10.1103/PhysRevB.36.5809 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 LINDGREN SA, 2000, HDB SURFACE SCI ELEC, V2 Luh DA, 2000, PHYS REV LETT, V84, P3410, DOI 10.1103/PhysRevLett.84.3410 Marini A, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.115101 Miller T, 1996, PHYS REV LETT, V77, P1167, DOI 10.1103/PhysRevLett.77.1167 Milun M, 2002, REP PROG PHYS, V65, P99, DOI 10.1088/0034-4885/65/2/201 Paggel JJ, 1999, SCIENCE, V283, P1709, DOI 10.1126/science.283.5408.1709 SMITH NV, 1974, PHYS REV B, V9, P1365, DOI 10.1103/PhysRevB.9.1365 SMITH NV, 1974, PHYS REV B, V9, P1341, DOI 10.1103/PhysRevB.9.1341 Somorjai GA, 1981, CHEM 2 DIMENSIONS SU Speer NJ, 2006, SCIENCE, V314, P804, DOI 10.1126/science.1132941 Tang SJ, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.216804Speer, N. J. Brinkley, M. K. Liu, Y. Wei, C. M. Miller, T. Chiang, T. -C.U. S. Department of Energy [DE-FG02-07ER46383]; American Chemical Society; U.S. National Science Foundation [DMR-05-03323, DMR-09-06444, DMR-05-37588]This project is supported by the U. S. Department of Energy (grant DE-FG02-07ER46383). We acknowledge the Petroleum Research Fund, administered by the American Chemical Society, and the U.S. National Science Foundation (grants DMR-05-03323 and DMR-09-06444) for partial support of personnel and the beamline facilities at the Synchrotron Radiation Center. The Synchrotron Radiation Center is supported by the U. S. National Science Foundation (grant DMR-05-37588).EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETYMULHOUSE

}, month = {Dec}, pages = {5}, type = {Article}, abstract = {

Whether photoemission probes surface or bulk properties has long been a topic of interest and debate. This work employs angle-resolved photoemission to map the electronic structure of Ag films of varying thicknesses prepared on Si(111). As expected, the discrete quantum-well states or subbands observed at small thicknesses merge into a continuum as the film thickness approaches the bulk limit. However, a number of discrete states remain isolated within gaps or pockets in the bulk continuum. While these Ag surface states have been predicted previously by calculations, most are experimentally identified herein only for the first time. Copyright (C) EPLA, 2009

}, keywords = {AG(111), CU(111), D-BAND METALS, QUANTUM-WELL STATES, SCHEMES, SPECTRA, SPECTROSCOPY, THIN-FILMS}, isbn = {0295-5075}, url = {://WOS:000273854100024}, author = {Speer, N. J. and Brinkley, M. K. and Liu, Y. and Wei, C. M. and Miller, T. and Chiang, T. C.} } @article {540, title = {Adsorption and desorption of stilbene from the Ag/Ge(111)-root 3 surface}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {37}, year = {2008}, note = {

ISI Document Delivery No.: 347KTTimes Cited: 3Cited Reference Count: 26Cited References: Aizawa H, 1999, SURF SCI, V429, pL509, DOI 10.1016/S0039-6028(99)00424-0 Azzam W, 2003, LANGMUIR, V19, P8262, DOI 10.1021/la030165w Backstrand KM, 2000, J CHEM PHYS, V112, P7209, DOI 10.1063/1.481327 BAO Z, 2002, MRS BULL, P441 Chen Q, 2002, LANGMUIR, V18, P3219, DOI 10.1021/la011722m Chen Q, 2003, LANGMUIR, V19, P10164, DOI 10.1021/la035052r Dorko MJ, 2000, J PHYS CHEM B, V104, P11695, DOI 10.1021/jp00374k Dubois M, 2005, PHYS REV B, V71, DOI 10.1103/PhysRevB.71.165435 Frisch M.J., 2004, GAUSSIAN 03 REVISION HAMMAR M, 1993, PHYS REV B, V47, P15669, DOI 10.1103/PhysRevB.47.15669 Jakubiak R, 1999, J PHYS CHEM A, V103, P2394, DOI 10.1021/jp9839450 Kulkarni AP, 2004, CHEM MATER, V16, P4556, DOI 10.1021/cm0494731 Nguyen TQ, 1999, J CHEM PHYS, V110, P4068, DOI 10.1063/1.478288 Nishimura SY, 1998, J PHYS CHEM B, V102, P6831, DOI 10.1021/jp981624i Padovani M, 2003, APPL SURF SCI, V212, P213, DOI 10.1016/S0169-4332(03)00083-7 SAKAMOTO K, 2004, SURF SCI NANOTECHNOL, V2, P210, DOI DOI 10.1380/EJSSNT.2004.210 Seidel C, 1997, SURF SCI, V374, P17, DOI 10.1016/S0039-6028(96)01186-7 Sheerin G, 2005, SURF SCI, V577, P211, DOI 10.1016/j.susc.2005.01.006 Slayton RM, 1996, J PHYS CHEM-US, V100, P15551, DOI 10.1021/jp961144w Su C, 1997, J CHEM PHYS, V107, P7543, DOI 10.1063/1.474993 Tsai CS, 2003, LANGMUIR, V19, P822, DOI 10.1021/la0207062 Tsai CS, 2005, J AM CHEM SOC, V127, P10788, DOI 10.1021/ja052448b VANEKEREN PJ, 1983, J CHEM THERMODYN, V15, P409, DOI 10.1016/0021-9614(83)90038-1 Wang MF, 2003, MACROMOLECULES, V36, P4411, DOI 10.1021/ma0217534 WU H, UNPUB Wu HC, 2007, LANGMUIR, V23, P12521, DOI 10.1021/la701845pWu, H. C. Chou, L. -W. Wang, L. -C. Lee, Y. -R. Wei, C. -M. Jiang, J. -C. Su, C. Lin, J. -C.National Science Council of the Republic of China [NSC-95-2113-M-001-039, NSC-90-2113-M-027-005]We thank Dr. C.-S. Tsai for his assistance in the initial stage of this work and Mr. T.-D. Chien for confirming the TPD results. We also gratefully acknowledge the financial support by the National Science Council of the Republic of China (Grants NSC-95-2113-M-001-039 and NSC-90-2113-M-027-005) of this research.AMER CHEMICAL SOCWASHINGTON

}, month = {Sep}, pages = {14464-14474}, type = {Article}, abstract = {

The adsorption and desorption of stilbene on Ag/Ge(111)-(root 3 x root 3)R30 degrees (Ag/Ge(111)-root 3) were investigated using low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), temperature-programmed desorption (TPD), and density functional theory (I)FT). Both trans- and cis-stilbenes form a (2 x 1) overlayer structure on Ag/Ge(111)-root 3 at a coverage of similar to 1 ML. The STM images show parallel strips with three equivalent directions, indicating a self-ordered molecular structure. At a coverage of less than I ML, the TPD of cis-stilbene shows only one peak, attributed to submonolayer desorption. The TPD peaks are indistinguishable for desorption of trans-stilbene from the surface submonolayer and multilayer. This is due to the simultaneous desorption and/or thinning of adsorbed multilayers during the TPD process, as determined from the STM analysis of adsorbed trans-stilbene structures before and after annealing. The TPD traces fit the half-order kinetics for molecular desorption of stilbene from Ag/Ge(111)-root 3 with desorption energies of 20.1 (cis-) and 21.3 kcal/mol (trans-), which are comparable with the calculated values using the DFT method. A plausible explanation for the stilbene desorption process on Ag/Ge(111)-root 3 is proposed and discussed.

}, keywords = {AL2O3(0001), CU(110) SURFACES, LEED, PHOTOCHEMISTRY, ROOT-3)R30-DEGREES SURFACE, SCANNING-TUNNELING-MICROSCOPY, STM, TEMPERATURE-PROGRAMMED DESORPTION, X}, isbn = {1932-7447}, url = {://WOS:000259140700037}, author = {Wu, H. C. and Chou, L. W. and Wang, L. C. and Lee, Y. R. and Wei, C. M. and Jiang, J. C. and Su, C. and Lin, J. C.} } @article {538, title = {Density functional study of surface-supported planar magic Ag nanoclusters}, journal = {Physical Review B}, volume = {78}, number = {11}, year = {2008}, note = {

ISI Document Delivery No.: 355EATimes Cited: 5Cited Reference Count: 44Cited References: Akola J, 2000, PHYS REV B, V62, P13216, DOI 10.1103/PhysRevB.62.13216 Baletto F, 2005, REV MOD PHYS, V77, P371, DOI 10.1103/RevModPhys.77.371 BRACK M, 1993, REV MOD PHYS, V65, P677, DOI 10.1103/RevModPhys.65.677 Chiu YP, 2006, PHYS REV LETT, V97, DOI 10.1103/PhysRevLett.97.165504 ECHT O, 1981, PHYS REV LETT, V47, P1121, DOI 10.1103/PhysRevLett.47.1121 EKARDT W, 1984, PHYS REV B, V29, P1558, DOI 10.1103/PhysRevB.29.1558 EKARDT W, 1984, PHYS REV LETT, V52, P1925, DOI 10.1103/PhysRevLett.52.1925 Ekardt W, 1999, METAL CLUSTERS Fernandez EM, 2004, PHYS REV B, V70, DOI 10.1103/PhysRevB.70.165403 Fournier R, 2001, J CHEM PHYS, V115, P2165, DOI 10.1063/1.1383288 Hakkinen H, 1996, PHYS REV LETT, V76, P1599, DOI 10.1103/PhysRevLett.76.1599 Hakkinen H, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.093401 HARRIS IA, 1984, PHYS REV LETT, V53, P2390, DOI 10.1103/PhysRevLett.53.2390 Jian WB, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.196603 KAXIRAS E, 2003, ATOMIC ELECT STRCUTU KNIGHT WD, 1984, PHYS REV LETT, V52, P2141, DOI 10.1103/PhysRevLett.52.2141 Kohl C, 1996, Z PHYS D ATOM MOL CL, V38, P81 KOHN W, 1965, PHYS REV, V140, P1133 KOSHELEV A, 2003, PHYS REV LETT, V90 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Lai MY, 1998, PHYS REV LETT, V81, P164, DOI 10.1103/PhysRevLett.81.164 LANG ND, 1970, PHYS REV B, V1, P4555, DOI 10.1103/PhysRevB.1.4555 LANG ND, 1978, PHYS REV B, V18, P616, DOI 10.1103/PhysRevB.18.616 LANG ND, 1971, PHYS REV B, V3, P1215, DOI 10.1103/PhysRevB.3.1215 Lin HY, 2005, PHYS REV LETT, V94, DOI 10.1103/PhysRevLett.94.136101 Lu SM, 2007, PHYS REV B, V75, DOI 10.1103/PhysRevB.75.113402 Lyalin A, 2003, PHYS REV A, V67, DOI 10.1103/PhysRevA.67.063203 Manninen K, 2003, PHYS REV B, V68, DOI 10.1103/PhysRevB.68.235412 MEIWESBROER KH, 1999, SPRINGER SERIES CLUS Moskovits M., 1986, METAL CLUSTERS Nayak SK, 1997, PHYS REV B, V56, P6952, DOI 10.1103/PhysRevB.56.6952 Payami M, 2006, PHYS REV B, V73, DOI 10.1103/PhysRevB.73.113106 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Pereiro M, 2007, PHYS REV A, V75, DOI 10.1103/PhysRevA.75.063204 Pereiro M, 2007, PHYS REV A, V75, DOI 10.1103/PhysRevA.75.033202 RAO BK, 1987, PHYS REV B, V36, P953, DOI 10.1103/PhysRevB.36.953 Rao BK, 1999, J CLUST SCI, V10, P477, DOI 10.1023/A:1021948806958 Torrent D, 2007, PHYS REV B, V75, DOI 10.1103/PhysRevB.75.241404 Wang BL, 2005, PHYS REV A, V71, DOI 10.1103/PhysRevA.71.033201 *EPAPS, EPRBMDO78015835 EPAPChiu, Ya-Ping Wei, Ching-Ming Chang, Chia-SengNational Science Council of Taiwan, Republic of China [NSC 95-2112-M110-024-MY3]The authors would like to thank the financial support of this study by the National Science Council of Taiwan, Republic of China under the Contract No. NSC 95-2112-M110-024-MY3.AMER PHYSICAL SOCCOLLEGE PK

}, month = {Sep}, pages = {7}, type = {Article}, abstract = {

Experimentally, self-organized Ag planar clusters have been observed on the periodic template found on the Pb quantum islands, which are grown on the Si(111) surface. These planar clusters register a remarkable abundance variation at some specific atomic numbers and possess enhanced stability. They are thus denoted as two-dimensional magic Ag nanoclusters (or nanopucks). In this work, detailed calculations based on ab initio density functional theory are made to illuminate how the size and shape effects related to electronic confinement influence the sequence of these two-dimensional Ag nanostructures. The simulation results demonstrate that the evolution of a sequence of planar magic Ag clusters is strongly correlated with their electronic structures. Meanwhile, the role of substrate in the formation of magic Ag clusters is also examined. The symmetry and size of the periodic pattern on the substrate have helped to build up the distinguishable geometric structures in experiment. Further analysis of the related electronic and geometrical properties of these clusters not only explains the occurrence and sequence of the magic numbers but also helps to elucidate the mechanism of their formation.

}, keywords = {CLUSTERS, JELLIUM-BACKGROUND MODEL, MOLECULAR-DYNAMICS, NUMBERS, PARTICLES, SMALL METAL, STRUCTURAL-PROPERTIES, TOTAL-ENERGY CALCULATIONS, TRANSITION, WAVE BASIS-SET, WORK FUNCTION}, isbn = {1098-0121}, url = {://WOS:000259690800084}, author = {Chiu, Y. P. and Wei, C. M. and Chang, C. S.} } @article {537, title = {CO oxidation on unsupported Au(55), Ag(55), and Au(25)Ag(30) nanoclusters}, journal = {Journal of Chemical Physics}, volume = {128}, number = {12}, year = {2008}, note = {

ISI Document Delivery No.: 281ZKTimes Cited: 23Cited Reference Count: 36Cited References: BLOCHL PE, 1994, PHYS REV B, V50, P17953, DOI 10.1103/PhysRevB.50.17953 Bongiorno A, 2005, PHYS REV LETT, V95, DOI 10.1103/PhysRevLett.95.106102 Boyen HG, 2002, SCIENCE, V297, P1533, DOI 10.1126/science.1076248 Chen MS, 2004, SCIENCE, V306, P252, DOI 10.1126/science.1102420 Fu Q, 2003, SCIENCE, V301, P935, DOI 10.1126/science.1085721 Greeley J, 2004, NAT MATER, V3, P810, DOI 10.1038/nmat1223 Gross A, 2006, TOP CATAL, V37, P29, DOI 10.1007/s11244-006-0005-x Haberlen OD, 1997, J CHEM PHYS, V106, P5189 Hakkinen H, 2001, J AM CHEM SOC, V123, P9704, DOI 10.1021/ba0165180 HAMMER B, 1995, NATURE, V376, P238, DOI 10.1038/376238a0 Haruta M, 1997, CATAL TODAY, V36, P153, DOI 10.1016/S0920-5861(96)00208-8 Haruta Masatake, 2003, Chem Rec, V3, P75, DOI 10.1002/tcr.10053 HARUTA M, 1989, J CATAL, V115, P301, DOI 10.1016/0021-9517(89)90034-1 HOHENBERG P, 1964, PHYS REV B, V136, pB864, DOI 10.1103/PhysRev.136.B864 Inderwildi OR, 2007, SURF SCI, V601, pL103, DOI 10.1016/j.susc.2007.06.031 KHANNA SN, 2003, QUANTUM PHENOMENA CL KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Laursen S, 2006, PHYS REV LETT, V97, DOI 10.1103/PhysRevLett.97.026101 Liu JH, 2005, J PHYS CHEM B, V109, P40, DOI 10.1021/jp044938g Liu ZP, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.266102 Liu ZP, 2002, J AM CHEM SOC, V124, P14770, DOI 10.1021/ja0205885 Liu ZP, 2005, PHYS REV LETT, V94, DOI 10.1103/PhysRevLett.94.196102 Lopez N, 2002, J AM CHEM SOC, V124, P11262, DOI 10.1021/ja026998a MILLS G, 1994, PHYS REV LETT, V72, P1124, DOI 10.1103/PhysRevLett.72.1124 Molina LM, 2004, PHYS REV B, V69, DOI 10.1103/PhysRevB.69.155424 Molina LM, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.206102 NOSE S, 1984, J CHEM PHYS, V81, P511 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Pyykko P, 2004, ANGEW CHEM INT EDIT, V43, P4412, DOI 10.1002/anie.200300624 Stolcic D, 2003, J AM CHEM SOC, V125, P2848, DOI 10.1021/ja0293406 Valden M, 1998, SCIENCE, V281, P1647, DOI 10.1126/science.281.5383.1647 Wang AQ, 2005, J PHYS CHEM B, V109, P18860, DOI 10.1021/jp051530q Wang JG, 2006, PHYS REV LETT, V97, DOI 10.1103/PhysRevLett.97.136107 Yoon B, 2005, SCIENCE, V307, P403, DOI 10.1126/science.1104168Chang, C. M. Cheng, C. Wei, C. M.AMER INST PHYSICSMELVILLE

}, month = {Mar}, pages = {4}, type = {Article}, abstract = {

Using density functional calculations, we demonstrate a catalytic reaction path with activation barriers of less than 0.5 eV for CO oxidation on the neutral and unsupported icosahedral nanoclusters of Au(55), Ag(55), and Au(25)Ag(30). Both CO and O(2) adsorb more strongly on these clusters than on the corresponding bulk surfaces. The reaction path consists of an intermediate involving OOCO complex through which the coadsorption energy of CO and O(2) on these clusters is expected to play an important role in the reaction. Based on the studies for the Au and Ag nanoclusters, a model alloy nanocluster of Au(25)Ag(30) was designed to provide a larger coadsorption energy for CO and O2 and was anticipated to be a better catalyst for CO oxidation from energetic analysis. (C) 2008 American Institute of Physics.

}, keywords = {AU, AUGMENTED-WAVE METHOD, CATALYTIC-ACTIVITY, GAS, GOLD CLUSTERS, SUPPORT, SYSTEMS, TITANIA}, isbn = {0021-9606}, url = {://WOS:000254537200064}, author = {Chang, C. M. and Cheng, C. and Wei, C. M.} } @article {539, title = {Electronic transport properties of quantum-well states in ultrathin Pb (111) films}, journal = {Physical Review B}, volume = {78}, number = {24}, year = {2008}, note = {

ISI Document Delivery No.: 391PYTimes Cited: 8Cited Reference Count: 34Cited References: BLOCHL PE, 1994, PHYS REV B, V50, P17953, DOI 10.1103/PhysRevB.50.17953 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 Czoschke P, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.226801 Dil JH, 2006, PHYS REV B, V73, DOI 10.1103/PhysRevB.73.161308 Dil JH, 2007, PHYS REV B, V75, DOI 10.1103/PhysRevB.75.161401 Eom D, 2006, PHYS REV LETT, V96, DOI 10.1103/PhysRevLett.96.027005 Fuchs K, 1938, P CAMB PHILOS SOC, V34, P100 Guo Y, 2004, SCIENCE, V306, P1915, DOI 10.1126/science.1105130 HASEGAWA S, 1992, PHYS REV LETT, V68, P1192, DOI 10.1103/PhysRevLett.68.1192 Hasegawa S, 2003, SURF REV LETT, V10, P963, DOI 10.1142/S0218625X03005736 Hirahara T., 2004, e-Journal of Surface Science and Nanotechnology, V2, DOI 10.1380/ejssnt.2004.141 Hong HW, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.076104 Hupalo M, 2002, PHYS REV B, V65, DOI [10.1103/PhysRevB.65.205406, 10.1103/PhysRevB.65.115406] JALOCHOWSKI M, 1988, PHYS REV B, V38, P5272, DOI 10.1103/PhysRevB.38.5272 JALOCHOWSKI M, 1992, PHYS REV B, V45, P13607, DOI 10.1103/PhysRevB.45.13607 Jalochowski M, 1996, PHYS REV LETT, V76, P4227, DOI 10.1103/PhysRevLett.76.4227 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 Matsuda I, 2005, PHYS REV B, V71, DOI 10.1103/PhysRevB.71.235315 MEADEN GT, 1965, ELECTRICAL RESISTANC, P16 Ozer MM, 2006, NAT PHYS, V2, P173, DOI 10.1038/nphys244 Ozer MM, 2005, PHYS REV B, V72, DOI 10.1103/PhysRevB.72.113409 Ozer MM, 2007, SCIENCE, V316, P1594, DOI 10.1126/science.1142159 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Pfennigstorf O, 2002, PHYS REV B, V65, DOI 10.1103/PhysRevB.65.045412 SHIRLEY EL, 1995, PHYS REV B, V51, P13614, DOI 10.1103/PhysRevB.51.13614 SONDHEIMER EH, 1952, ADV PHYS, V1, P1, DOI 10.1080/00018735200101151 TANIKAWA T, 2003, E J SURF SCI NANOTEC, V1, P50 TRIVEDI N, 1988, PHYS REV B, V38, P12298, DOI 10.1103/PhysRevB.38.12298 Upton MH, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.026802 Upton MH, 2005, PHYS REV B, V71, DOI 10.1103/PhysRevB.71.033403 Vilfan I, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.241306 Wei CM, 2007, PHYS REV B, V75, DOI 10.1103/PhysRevB.75.195417 Wei CM, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233408Miyata, Nobuhiro Horikoshi, Kotaro Hirahara, Toru Hasegawa, Shuji Wei, C. M. Matsuda, IwaoJapan Society for the Promotion of ScienceWe are grateful to M. C. Tringides for helpful discussion. We would like to thank Rei Hobara for his assistance with the ARPES experiment. This work has been supported by Grants-In-Aid from Japan Society for the Promotion of Science.AMER PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {6}, type = {Article}, abstract = {

Electrical conduction mechanism in ultrathin Pb (111) films formed on the Si(111)root 3x root 3-Pb surface has been investigated by means of in situ conductivity measurements, angle-resolved photoemission spectroscopy, and first-principles calculations. To investigate the origin of the bilayer oscillation observed in the present conductivity measurement, we perform some simulations based on the calculated band structure. They reveal that the density of states near the Fermi level cannot explain the bilayer oscillation, therefore, exclusively assigning it to the relaxation time. Surface roughness during the bilayer film growth seems to play a crucial role in the bilayer oscillation of the relaxation time.

}, keywords = {AUGMENTED-WAVE METHOD, METALLIC-FILMS, RESISTIVITY, SIZE, SUPERCONDUCTIVITY, SURFACE}, isbn = {1098-0121}, url = {://WOS:000262246400072}, author = {Miyata, N. and Horikoshi, K. and Hirahara, T. and Hasegawa, S. and Wei, C. M. and Matsuda, I.} } @article {536, title = {Quantum size effect in Pb(100) films: Critical role of crystal band structure}, journal = {Physical Review B}, volume = {75}, number = {19}, year = {2007}, note = {

ISI Document Delivery No.: 173RSTimes Cited: 8Cited Reference Count: 29Cited References: Aballe L, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.196103 Binggeli N, 2006, PHYS REV LETT, V96, DOI 10.1103/PhysRevLett.96.036805 Boettger JC, 1998, J PHYS-CONDENS MAT, V10, P893, DOI 10.1088/0953-8984/10/4/017 Boettger JC, 1996, PHYS REV B, V53, P13133, DOI 10.1103/PhysRevB.53.13133 Budde K, 2000, PHYS REV B, V61, P10602 Chan TL, 2006, PHYS REV LETT, V96, DOI 10.1103/PhysRevLett.96.226102 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 Eom D, 2006, PHYS REV LETT, V96, DOI 10.1103/PhysRevLett.96.027005 Gavioli L, 1999, PHYS REV LETT, V82, P129, DOI 10.1103/PhysRevLett.82.129 Guo Y, 2004, SCIENCE, V306, P1915, DOI 10.1126/science.1105130 Hupalo M, 2001, SURF SCI, V493, P526, DOI 10.1016/S0039-6028(01)01262-6 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Luh DA, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.256802 Luh DA, 2001, SCIENCE, V292, P1131, DOI 10.1126/science.292.5519.1131 MILLER T, 1988, PHYS REV LETT, V61, P1404, DOI 10.1103/PhysRevLett.61.1404 OZER MM, 2005, NATURE PHYS, V1, P117 Paggel JJ, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233403 Perdew J. P., 1991, ELECT STRUCTURE SOLI SCHULTE FK, 1976, SURF SCI, V55, P427, DOI 10.1016/0039-6028(76)90250-8 Smith AR, 1996, SCIENCE, V273, P226, DOI 10.1126/science.273.5272.226 SMITH NV, 1994, PHYS REV B, V49, P332, DOI 10.1103/PhysRevB.49.332 Su WB, 2001, PHYS REV LETT, V86, P5116, DOI 10.1103/PhysRevLett.86.5116 Valla T, 2000, J PHYS-CONDENS MAT, V12, pL477, DOI 10.1088/0953-8984/12/28/105 VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892 Wei CM, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233408 Yeh V, 2000, PHYS REV LETT, V85, P5158, DOI 10.1103/PhysRevLett.85.5158 Yu DK, 2004, PHYS REV B, V70, DOI 10.1103/PhysRevB.70.155417 Yu DK, 2006, PHYS REV B, V74, DOI 10.1103/PhysRevB.74.113401 Zhang ZY, 1998, PHYS REV LETT, V80, P5381, DOI 10.1103/PhysRevLett.80.5381Wei, C. M. Chou, M. Y.AMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {May}, pages = {4}, type = {Article}, abstract = {

We report first-principles calculations of Pb (100) films up to 22 monolayers to study variations in the surface energy and work function as a function of film thickness. An even-odd oscillation is found in these two quantities, while a jelliumlike model for this s-p metal predicts a periodicity of about three monolayers. This unexpected result is explained by considering a coherent superposition of contributions from quantum-well states centered at both the Gamma and M points in the two-dimensional Brillouin zone, demonstrating the importance of crystal band structure in studying the quantum size effect in metal thin films.

}, keywords = {AG, GROWTH, HEIGHT, ISLANDS, OVERLAYERS, PHOTOEMISSION, SILVER FILMS, WELL STATES}, isbn = {1098-0121}, url = {://WOS:000246890800142}, author = {Wei, C. M. and Chou, M. Y.} } @article {534, title = {Atomic dynamics of in nanoclusters on Si(100)}, journal = {Physical Review B}, volume = {74}, number = {12}, year = {2006}, note = {

ISI Document Delivery No.: 089HXTimes Cited: 3Cited Reference Count: 31Cited References: Ahn JR, 2004, PHYS REV B, V70, DOI 10.1103/PhysRevB.70.113304 Appelbaum I, 2001, NANOTECHNOLOGY, V12, P391, DOI 10.1088/0957-4484/12/3/330 BASKI AA, 1991, PHYS REV B, V43, P9316, DOI 10.1103/PhysRevB.43.9316 BECKSTEDTE M, 1997, COMP PHYS COMMUN, V107, P187 Bunk O, 1998, APPL SURF SCI, V123, P104, DOI 10.1016/S0169-4332(97)00472-8 CAR R, 1985, PHYS REV LETT, V55, P2471, DOI 10.1103/PhysRevLett.55.2471 CEPERLEY DM, 1980, PHYS REV LETT, V45, P566, DOI 10.1103/PhysRevLett.45.566 Cho K, 1996, PHYS REV B, V53, P4553, DOI 10.1103/PhysRevB.53.4553 Fuchs M, 1999, COMPUT PHYS COMMUN, V119, P67, DOI 10.1016/S0010-4655(98)00201-X HAMANN DR, 1989, PHYS REV B, V40, P2980, DOI 10.1103/PhysRevB.40.2980 Hata K, 2000, J VAC SCI TECHNOL A, V18, P1933, DOI 10.1116/1.582482 Hitosugi T, 1998, APPL SURF SCI, V130, P340, DOI 10.1016/S0169-4332(98)00081-6 Jia JF, 2002, APPL PHYS LETT, V80, P3186, DOI 10.1063/1.1474620 Jia JF, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165412 Kotlyar V. G., 2003, SURF SCI NANOTECHNOL, V1, P33 Kotlyar VG, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165401 Kotlyar VG, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.026104 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Kubo O, 2001, PHYS REV B, V64 KURAMOCHI H, 1994, PHYS REV LETT, V72, P932, DOI 10.1103/PhysRevLett.72.932 Lai MY, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.241404 Li JL, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.066101 LYDING JW, 1994, APPL PHYS LETT, V64, P2010, DOI 10.1063/1.111722 Perdew J. P., 1991, ELECT STRUCTURE SOLI, P11 PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 Saranin AA, 1999, PHYS REV B, V60, P14372, DOI 10.1103/PhysRevB.60.14372 Saranin AA, 2005, SURF SCI, V598, P136, DOI 10.1016/j.susc.2005.08.034 Takagi Y, 2004, APPL PHYS LETT, V84, P1925, DOI 10.1063/1.1668324 Takagi Y, 2004, SURF SCI, V559, P1, DOI [10.1016/j.susc.2004.04.010, 10.1016/k/susc.2004.04.010] Takeuchi N, 2001, PHYS REV B, V63, DOI 10.1103/PhysRevB.63.245325Saranin, A. A. Zotov, A. V. Kuyanov, I. A. Kishida, M. Murata, Y. Honda, S. Katayama, M. Oura, K. Wei, C. M. Wang, Y. L.AMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Sep}, pages = {6}, type = {Article}, abstract = {

Using scanning-tunneling microscopy and first-principles total-energy calculations, we have considered the structural properties of the so-called doped clusters formed by depositing additional 0.05 monolayer of In onto the 4x3-periodicity magic-cluster array in the In/Si(100) system. Low-temperature STM observations have revealed that most of the doped clusters have an asymmetric shape. According to the total-energy calculations, these clusters have plausibly Si6In8 composition. In such a cluster, one of the In atoms is mobile and can hop between four equivalent sites within a cluster. The hopping between sites, located in the different 2ax3a halves of the cluster, is characterized by the barrier of about 0.7 eV, and this hopping becomes frozen at 55 K. In contrast, the hopping between the neighboring sites within the same cluster half persists up to very low temperatures, as the barrier height here is an order of magnitude lower. Due to the above structural properties, the doped asymmetric Si6In8 cluster can be treated as a promising switch, logic gate, or memory cell of the atomic-scale size.

}, keywords = {DENSITY-FUNCTIONAL THEORY, GE(001), INDUCED SI(001)-(4X3) RECONSTRUCTION, MOLECULAR-DYNAMICS, PSEUDOPOTENTIALS, SCANNING TUNNELING MICROSCOPE, SURFACE, SYSTEMS, TIP}, isbn = {1098-0121}, url = {://WOS:000240872500053}, author = {Saranin, A. A. and Zotov, A. V. and Kuyanov, I. A. and Kishida, M. and Murata, Y. and Honda, S. and Katayama, M. and Oura, K. and Wei, C. M. and Wang, Y. L.} } @article {533, title = {Magic numbers of atoms in surface-supported planar clusters}, journal = {Physical Review Letters}, volume = {97}, number = {16}, year = {2006}, note = {

ISI Document Delivery No.: 096VRTimes Cited: 25Cited Reference Count: 30Cited References: Barth JV, 2005, NATURE, V437, P671, DOI 10.1038/nature04166 Brune H, 1998, NATURE, V394, P451 Campbell CT, 2002, SCIENCE, V298, P811, DOI 10.1126/science.1075094 Chiu YP, 2005, J VAC SCI TECHNOL A, V23, P1067, DOI 10.1116/1.1897698 DEHEER WA, 1993, REV MOD PHYS, V65, P611, DOI 10.1103/RevModPhys.65.611 EKARDT W, 1984, PHYS REV LETT, V52, P1925, DOI 10.1103/PhysRevLett.52.1925 Haruta M, 1997, CATAL TODAY, V36, P153, DOI 10.1016/S0920-5861(96)00208-8 Janssens E, 2003, NEW J PHYS, V5, DOI 10.1088/1367-2630/5/1/346 Jena P., 1987, PHYS CHEM SMALL CLUS KNIGHT WD, 1984, PHYS REV LETT, V52, P2141, DOI 10.1103/PhysRevLett.52.2141 Kohl C, 1996, Z PHYS D ATOM MOL CL, V38, P81 KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Lai MY, 1998, PHYS REV LETT, V81, P164, DOI 10.1103/PhysRevLett.81.164 Li JL, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.066101 Li X, 1998, PHYS REV LETT, V81, P1909, DOI 10.1103/PhysRevLett.81.1909 Lin HY, 2005, PHYS REV LETT, V94, DOI 10.1103/PhysRevLett.94.136101 MACKAY AL, 1962, ACTA CRYSTALLOGR, V15, P916, DOI 10.1107/S0365110X6200239X MARTIN TP, 1991, J PHYS CHEM-US, V95, P6421, DOI 10.1021/j100170a009 Nilius N, 2002, SCIENCE, V297, P1853, DOI 10.1126/science.1075242 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Reimann SM, 1997, PHYS REV B, V56, P12147, DOI 10.1103/PhysRevB.56.12147 SCHRIVER KE, 1990, PHYS REV LETT, V64, P2539, DOI 10.1103/PhysRevLett.64.2539 STAMPFLI P, 1992, PHYS REV LETT, V69, P3471, DOI 10.1103/PhysRevLett.69.3471 Yannouleas C, 1997, PHYS REV LETT, V78, P1424, DOI 10.1103/PhysRevLett.78.1424 Yokoyama T, 2001, NATURE, V413, P619Chiu, Ya-Ping Huang, Li-Wei Wei, Ching-Ming Chang, Chia-Seng Tsong, Tien-TzouAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Oct}, pages = {4}, type = {Article}, abstract = {

Surface-supported planar clusters can sprout active research and create numerous applications in the realm of nanotechnology. Exploitation of these clusters will be more extended if their properties on a supported substrate are thoroughly apprehended, and if they can be fabricated in a controllable way. Here we report finding the magic numbers in two-dimensional Ag clusters grown on Pb quantum islands. We demonstrate, with the images and energy spectra of atomic precision, the transition from electronic origin to a geometric one within the same system. Applying the magic nature, we can also produce a large array of planar clusters with well-defined sizes and shapes.

}, keywords = {ABUNDANCES, ELECTRONIC SHELL STRUCTURE, GROWTH, METAL-CLUSTERS, MODEL, MOLECULAR-DYNAMICS, PATTERNS, SIZE, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET}, isbn = {0031-9007}, url = {://WOS:000241405400039}, author = {Chiu, Y. P. and Huang, L. W. and Wei, C. M. and Chang, C. S. and Tsong, T. T.} } @article {535, title = {Transition between icosahedral and cuboctahedral nanoclusters of lead}, journal = {Journal of Physical Chemistry B}, volume = {110}, number = {48}, year = {2006}, note = {

ISI Document Delivery No.: 111CITimes Cited: 5Cited Reference Count: 25Cited References: BLOCHL PE, 1994, PHYS REV B, V50, P17953, DOI 10.1103/PhysRevB.50.17953 Doye JPK, 2006, COMP MATER SCI, V35, P227, DOI 10.1016/j.commatsci.2004.07.009 Doye JPK, 2002, J CHEM PHYS, V116, P8307, DOI 10.1063/1.1469616 FARGES J, 1988, ADV CHEM PHYS, V70, P45, DOI 10.1002/9780470122693.ch2 FARGES J, 1986, J CHEM PHYS, V84, P3491, DOI 10.1063/1.450235 FARGES J, 1983, J CHEM PHYS, V78, P5067, DOI 10.1063/1.445375 FROHEN F, 1983, CHEM PHYS LETT, V99, P500 HENDY SC, 2001, PHYS REV B, V64, P85425 Koga K, 2004, PHYS REV LETT, V92, DOI 10.1103/PhysRevLett.92.115507 KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Kresse G, 1999, PHYS REV B, V59, P1758, DOI 10.1103/PhysRevB.59.1758 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 MACKAY AL, 1962, ACTA CRYSTALLOGR, V15, P916, DOI 10.1107/S0365110X6200239X MILLS G, 1995, SURF SCI, V324, P305, DOI 10.1016/0039-6028(94)00731-4 MOLINA LM, 1999, ADV QUANTUM CHEM, V33, P329 NOSE S, 1984, J CHEM PHYS, V81, P511 Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865 Rao BK, 2000, PHYS REV B, V62, P4666, DOI 10.1103/PhysRevB.62.4666 Roos BO, 2004, PHYS CHEM CHEM PHYS, V6, P2919, DOI 10.1039/b401472n SONNTAG H, 1983, J MOL SPECTROSC, V100, P75 UPPENBRINK J, 1991, J CHEM SOC FARADAY T, V87, P215, DOI 10.1039/ft9918700215 Voter AF, 1987, MATER RES SOC S P, V82, P175Wei, C. M. Cheng, C. Chang, C. M.AMER CHEMICAL SOCWASHINGTON

}, month = {Dec}, pages = {24642-24645}, type = {Article}, abstract = {

We have used ab initio methods to study the possible transition between icosahedral (ico) and cuboctahedral (fcc) structures in lead nanoclusters of sizes up to 309 atoms. Spontaneous fcc-to-ico transition in Pb-13 was observed in the ab initio molecular dynamics (MD) simulations at various temperatures. The transition path can be described predominantly by an angular variable s, which can, generally be applied to the similar transitions in clusters of larger sizes and was observed to follow the Mackay model. We have calculated the two-dimensional energy surface that describes the transition in Pb-13 and found a barrierless fcc-to-ico transition path, which is consistent with the observed spontaneous transition in the ab initio MD simulations. The atomic displacements in the transition were identified as one of the vibrational eigenmodes of these two Pb-13 clusters. For clusters of larger sizes (Pb-n, where n = 55, 147, and 309), the possible transitions following similar paths were determined not to be barrierless and the sizes of the barriers were determined by the ab initio elastic band method.

}, keywords = {ARGON CLUSTERS, AUGMENTED-WAVE, BASIS-SET, LENNARD-JONES CLUSTERS, METALS, METHOD, MOLECULAR-DYNAMICS, NONCRYSTALLINE STRUCTURE, PACKING, SCHEMES, TOTAL-ENERGY CALCULATIONS}, isbn = {1520-6106}, url = {://WOS:000242428200052}, author = {Wei, C. M. and Cheng, C. and Chang, C. M.} } @article {532, title = {Comment on "Quantum confinement and electronic properties of silicon nanowires" - Reply}, journal = {Physical Review Letters}, volume = {94}, number = {21}, year = {2005}, note = {

ISI Document Delivery No.: 932HDTimes Cited: 6Cited Reference Count: 10Cited References: AJIKI H, 1994, PHYSICA B, V201, P349, DOI 10.1016/0921-4526(94)91112-6 Albrecht S, 1998, PHYS REV LETT, V80, P4510, DOI 10.1103/PhysRevLett.80.4510 Benedict LX, 1998, PHYS REV LETT, V80, P4514, DOI 10.1103/PhysRevLett.80.4514 Bruneval F, 2005, PHYS REV LETT, V94, DOI 10.1103/PhysRevLett.94.219701 Chang E, 2004, PHYS REV LETT, V92, DOI 10.1103/PhysRevLett.92.196401 Marinopoulos AG, 2003, PHYS REV LETT, V91, DOI [10.1103/PhysRevLett.91.256402, 10.1103/PhysRevLett.91.176402, 10.1103/PhysRevLett.91.046402] Rohlfing M, 1998, PHYS REV LETT, V81, P2312, DOI 10.1103/PhysRevLett.81.2312 Spataru CD, 2004, PHYS REV LETT, V92, DOI 10.1103/PhysRevLett.92.077402 Spataru CD, 2004, APPL PHYS A-MATER, V78, P1129, DOI 10.1007/s00339-003-2464-2 Zhao XY, 2004, PHYS REV LETT, V92, DOI 10.1103/PhysRevLett.92.125502Zhao, XY Wei, CM Yang, L Chou, MYAMER PHYSICAL SOCCOLLEGE PK

}, month = {Jun}, pages = {1}, type = {Editorial Material}, abstract = {

n/a

}, keywords = {AB-INITIO CALCULATION, CARBON NANOTUBES, INSULATORS, OPTICAL-ABSORPTION, SEMICONDUCTORS, SPECTRA}, isbn = {0031-9007}, url = {://WOS:000229543900062}, author = {Zhao, X. Y. and Wei, C. M. and Yang, L. and Chou, M. Y.} } @article {531, title = {Hydrogenation-induced insulating state in the intermetallic compound LaMg2Ni}, journal = {Physical Review Letters}, volume = {94}, number = {6}, year = {2005}, note = {

ISI Document Delivery No.: 899JJTimes Cited: 21Cited Reference Count: 17Cited References: Alford JA, 2003, PHYS REV B, V67, DOI 10.1103/PhysRevB.67.125110 Bowman RC, 2002, MRS BULL, V27, P688, DOI 10.1557/mrs2002.223 Cerny R, 2002, J ALLOY COMPD, V340, P180, DOI 10.1016/S0925-8388(02)00050-6 GRIESSEN R, 2001, EUROPHYS NEWS, V32, P41, DOI 10.1051/epn:2001201 Huiberts JN, 1996, NATURE, V380, P231, DOI 10.1038/380231a0 Isidorsson J, 2002, APPL PHYS LETT, V80, P2305, DOI 10.1063/1.1463205 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Ng KK, 1997, PHYS REV LETT, V78, P1311, DOI 10.1103/PhysRevLett.78.1311 ORGAZ E, 1993, Z PHYS CHEM, V181, P1 REANUDIN C, IN PRESS Renaudin G, 2003, J ALLOY COMPD, V350, P145, DOI 10.1016/S0925-8388(02)00963-5 Richardson TJ, 2002, APPL PHYS LETT, V80, P1349, DOI 10.1063/1.1454218 Schlapbach L, 2001, NATURE, V414, P353, DOI 10.1038/35104634 Vajda P., 1995, HDB PHYSICS CHEM RAR, P207, DOI 10.1016/S0168-1273(05)80071-6 YVON K, IN PRESS ENCY INORGA Yvon K., 2004, ENCY MAT SCI TECHNOL, P1Yvon, K Renaudin, G Wei, CM Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Feb}, pages = {4}, type = {Article}, abstract = {

Hydrogenation-induced metal-semiconductor transitions usually occur in simple systems based on rare earths and/or magnesium, accompanied by major reconstructions of the metal host (atom shifts \>2 Angstrom). We report on the first such transition in a quaternary system based on a transition element. Metallic LaMg2Ni absorbs hydrogen near ambient conditions, forming the nonmetallic hydride LaMg2NiH7 which has a nearly unchanged metal host structure (atom shifts \<0.7 Angstrom). The transition is induced by a charge transfer of conduction electrons into tetrahedral [NiH4](4-) complexes having closed-shell electron configurations.

}, keywords = {COMPLEXES, ELECTRONIC-STRUCTURE, FILMS, METAL HYDRIDE, MG, STORAGE, SWITCHABLE OPTICAL-PROPERTIES}, isbn = {0031-9007}, url = {://WOS:000227140400052}, author = {Yvon, K. and Renaudin, G. and Wei, C. M. and Chou, M. Y.} } @article {530, title = {Self-diffusion of adatoms and dimers on fcc(100) surfaces}, journal = {Chinese Journal of Physics}, volume = {43}, number = {1}, year = {2005}, note = {

ISI Document Delivery No.: 902JKTimes Cited: 8Cited Reference Count: 26Cited References: AYRAULT G, 1974, J CHEM PHYS, V60, P281, DOI 10.1063/1.1680781 BASSETT DW, 1978, SURF SCI, V70, P520, DOI 10.1016/0039-6028(78)90429-6 CEPERLEY DM, 1980, PHYS REV LETT, V45, P566, DOI 10.1103/PhysRevLett.45.566 Chang CM, 2001, J PHYS-CONDENS MAT, V13, pL321, DOI 10.1088/0953-8984/13/17/101 CHEN CL, 1990, PHYS REV LETT, V64, P3147, DOI 10.1103/PhysRevLett.64.3147 Feibelman PJ, 1999, PHYS REV B, V59, P5892, DOI 10.1103/PhysRevB.59.5892 FEIBELMAN PJ, 1990, PHYS REV LETT, V65, P729, DOI 10.1103/PhysRevLett.65.729 Fu TY, 2000, SURF SCI, V454, P571, DOI 10.1016/S0039-6028(00)00095-9 Fu TY, 1999, SURF SCI, V421, P157, DOI 10.1016/S0039-6028(98)00847-4 Hohenberg P., 1964, PHYS REV B, V136, P864 KELLOGG GL, 1994, SURF SCI REP, V21, P1, DOI 10.1016/0167-5729(94)90007-8 KELLOGG GL, 1991, PHYS REV LETT, V67, P622, DOI 10.1103/PhysRevLett.67.622 KELLOGG GL, 1990, PHYS REV LETT, V64, P3143, DOI 10.1103/PhysRevLett.64.3143 KELLOGG GL, 1991, J VAC SCI TECHNOL A, V9, P1757, DOI 10.1116/1.577457 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Lundqvist S., 1983, THEORY INHOMOGENEOUS MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI 10.1103/PhysRevB.13.5188 Perdew J. P., 1991, ELECT STRUCTURE SOLI PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 TRINGIDES MC, 1997, SURFACE DIFFUSION AT Yu BD, 1997, PHYS REV B, V56, pR15569, DOI 10.1103/PhysRevB.56.R15569 Zangwill A., 1988, PHYS SURFACESChang, CM Wei, CM6th Taipei Symposium on Surfaces, Thin Films and NanosciencesAUG 17-20, 2004Taipei, TAIWANNatl Taiwan Univ, Acad SinicaPHYSICAL SOC REPUBLIC CHINATAIPEIPart 2

}, month = {Feb}, pages = {169-175}, type = {Article; Proceedings Paper}, abstract = {

Using ab initio density-functional theory, the self-diffusion of adatom and dimer on fcc(100) metal surfaces are studied. For adatom diffusion, we find that the exchange mechanism is favored for Al, Ir, Ni, Pd, Pt and Au, while the hopping mechanism is favored for Rh, Cu, and Ag. Except for Ir/Ir(100), the exchange diffusion energy has a surprising large size-effect and decreases as the surface unit cell increases. This is due to the long-ranged strain-field created at the exchange transition state, which needs a larger cell to relax. The hopping diffusion energy, on the other hand, has a very small size-effect and keeps approximately the same value for various surface unit cells. For self-diffusion on lr(100), the formation of covalent bonds are found at the exchange transition state, and thus the exchange diffusion energy has a little size-effect. Our results also indicate that the exchange mechanism is energetically more favorable for dimer diffusion on fcc(100) surface whenever it is favored for adatom diffusion on fcc(100) surface.

}, keywords = {ATOMS, IR, METALS, MOLECULAR-DYNAMICS, PT(001), TOTAL-ENERGY CALCULATIONS, TRANSITION, WAVE BASIS-SET}, isbn = {0577-9073}, url = {://WOS:000227350900008}, author = {Chang, C. M. and Wei, C. M.} } @article {528, title = {Smallest carbon nanotube Is 3 angstrom in diameter}, journal = {Physical Review Letters}, volume = {92}, number = {12}, year = {2004}, note = {

ISI Document Delivery No.: 807TUTimes Cited: 293Cited Reference Count: 22Cited References: BLASE X, 1994, PHYS REV LETT, V72, P1878, DOI 10.1103/PhysRevLett.72.1878 Cabria I, 2003, PHYS REV B, V67, DOI 10.1103/PhysRevB.67.121406 EBBESEN TW, 1992, NATURE, V358, P220, DOI 10.1038/358220a0 HUTTER J, 1990, CPMD PROGRAM VERSION IIJIMA S, 1991, NATURE, V354, P56, DOI 10.1038/354056a0 Jones RO, 1999, J CHEM PHYS, V110, P5189, DOI 10.1063/1.478414 Kanamitsu K, 2002, J PHYS SOC JPN, V71, P483, DOI 10.1143/JPSJ.71.483 Kataura H, 1999, SYNTHETIC MET, V103, P2555, DOI 10.1016/S0379-6779(98)00278-1 Liu HJ, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.115416 Liu Y, 2003, PHYS REV B, V68, DOI 10.1103/PhysRevB.68.125413 Peng LM, 2000, PHYS REV LETT, V85, P3249, DOI 10.1103/PhysRevLett.85.3249 Prinzbach H, 2000, NATURE, V407, P60, DOI 10.1038/35024037 Qin LC, 2000, NATURE, V408, P50, DOI 10.1038/35040699 Sanchez-Portal D, 1999, PHYS REV B, V59, P12678, DOI 10.1103/PhysRevB.59.12678 Sano N, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.113403 SAWADA S, 1992, SOLID STATE COMMUN, V83, P917, DOI 10.1016/0038-1098(92)90911-R Tang ZK, 2001, SCIENCE, V292, P2462, DOI 10.1126/science.1060470 Wang N, 2000, NATURE, V408, P50 Zhao X, 1997, CARBON, V35, P775, DOI 10.1016/S0008-6223(97)00033-X Zhao XL, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.187401 Zhao XL, 2002, CHEM PHYS LETT, V361, P169, DOI 10.1016/S0009-2614(02)00955-7 Zhao XL, 2002, APPL PHYS LETT, V81, P2550, DOI 10.1063/1.1502196Zhao, X Liu, Y Inoue, S Suzuki, T Jones, RO Ando, YAMER PHYSICAL SOCCOLLEGE PK

}, month = {Mar}, pages = {3}, type = {Article}, abstract = {

Previous energetic considerations have led to the belief that carbon nanotubes (CNTs) of 4 Angstrom in diameter are the smallest stable CNTs. Using high-resolution transmission electron microscopy, we find that a stable 3 Angstrom CNT can be grown inside a multiwalled carbon nanotube. Density functional calculations indicate that the 3 Angstrom CNT is the armchair CNT(2,2) with a radial breathing mode at 787 cm(-1). Each end can be capped by half of a C(12) cage (hexagonal prism) containing tetragons.

}, keywords = {ENERGETICS, MATERIALS SCIENCE, MODES, SINGLE}, isbn = {0031-9007}, url = {://WOS:000220524600031}, author = {Zhao, X. and Liu, Y. and Inoue, S. and Suzuki, T. and Jones, R. O. and Ando, Y.} } @article {529, title = {Quantum confinement and electronic properties of silicon nanowires}, journal = {Physical Review Letters}, volume = {92}, number = {23}, year = {2004}, note = {

ISI Document Delivery No.: 828GNTimes Cited: 293Cited Reference Count: 22Cited References: BUDA F, 1992, PHYS REV LETT, V69, P1272, DOI 10.1103/PhysRevLett.69.1272 CANHAM LT, 1990, APPL PHYS LETT, V57, P1046, DOI 10.1063/1.103561 Cohen M. L., 1988, ELECT STRUCTURE OPTI Cui Y, 2001, SCIENCE, V291, P851, DOI 10.1126/science.291.5505.851 Cui Y, 2001, APPL PHYS LETT, V78, P2214, DOI 10.1063/1.1363692 DELERUE C, 1993, PHYS REV B, V48, P11024, DOI 10.1103/PhysRevB.48.11024 DELLEY B, 1995, APPL PHYS LETT, V67, P2370, DOI 10.1063/1.114348 Duan XF, 2000, APPL PHYS LETT, V76, P1116, DOI 10.1063/1.125956 Duan XF, 2001, NATURE, V409, P66, DOI 10.1038/35051047 Holmes JD, 2000, SCIENCE, V287, P1471, DOI 10.1126/science.287.5457.1471 HYBERTSEN MS, 1993, PHYS REV B, V48, P4608, DOI 10.1103/PhysRevB.48.4608 HYBERTSEN MS, 1986, PHYS REV B, V34, P5390, DOI 10.1103/PhysRevB.34.5390 Katz D, 2002, PHYS REV LETT, V89, DOI 10.1103/PhysRevLett.89.086801 Landman U, 2000, PHYS REV LETT, V85, P1958, DOI 10.1103/PhysRevLett.85.1958 Ma DDD, 2003, SCIENCE, V299, P1874, DOI 10.1126/science.1080313 Morales AM, 1998, SCIENCE, V279, P208, DOI 10.1126/science.279.5348.208 READ AJ, 1992, PHYS REV LETT, V69, P1232, DOI 10.1103/PhysRevLett.69.1232 SANDERS GD, 1992, PHYS REV B, V45, P9202, DOI 10.1103/PhysRevB.45.9202 TROULLIER N, 1991, PHYS REV B, V43, P1993, DOI 10.1103/PhysRevB.43.1993 Xia JB, 1997, PHYS REV B, V55, P15688, DOI 10.1103/PhysRevB.55.15688 YEH CY, 1994, PHYS REV B, V50, P14405, DOI 10.1103/PhysRevB.50.14405 ZHAO Y, 2003, PHYS REV LETT, V91, P35501Zhao, XY Wei, CM Yang, L Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jun}, pages = {4}, type = {Article}, abstract = {

We investigate the structural, electronic, and optical properties of hydrogen-passivated silicon nanowires along [110] and [111] directions with diameter d up to 4.2 nm from first principles. The size and orientation dependence of the band gap is investigated and the local-density gap is corrected with the GW approximation. Quantum confinement becomes significant for d\<2.2 nm, where the dielectric function exhibits strong anisotropy and new low-energy absorption peaks start to appear in the imaginary part of the dielectric function for polarization along the wire axis.

}, keywords = {1ST-PRINCIPLES, BAND-GAPS, BUILDING-BLOCKS, DEVICES, OPTICAL-PROPERTIES, POROUS SILICON, WIRES}, isbn = {0031-9007}, url = {://WOS:000221961900044}, author = {Zhao, X. Y. and Wei, C. M. and Yang, L. and Chou, M. Y.} } @article {527, title = {Thermal stability and electronic structure of atomically uniform Pb films on Si(111)}, journal = {Physical Review Letters}, volume = {93}, number = {2}, year = {2004}, note = {

ISI Document Delivery No.: 836CFTimes Cited: 99Cited Reference Count: 21Cited References: Altfeder IB, 1997, PHYS REV LETT, V78, P2815, DOI 10.1103/PhysRevLett.78.2815 CARLISLE JA, 1992, PHYS REV B, V45, P3400, DOI 10.1103/PhysRevB.45.3400 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 ESTRUP PJ, 1964, SURF SCI, V2, P465, DOI 10.1016/0039-6028(64)90088-3 HESLINGA DR, 1990, PHYS REV LETT, V64, P1589, DOI 10.1103/PhysRevLett.64.1589 Hupalo M, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.155307 Hupalo M, 2002, PHYS REV B, V65, DOI [10.1103/PhysRevB.65.205406, 10.1103/PhysRevB.65.115406] HWANG IS, 1995, SURF SCI, V323, P241, DOI 10.1016/0039-6028(94)00613-X JALOCHOWSKI M, 1995, PHYS REV B, V51, P7231, DOI 10.1103/PhysRevB.51.7231 JALOCHOWSKI M, 1992, PHYS REV B, V46, P4693, DOI 10.1103/PhysRevB.46.4693 Luh DA, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.256802 Luh DA, 2001, SCIENCE, V292, P1131, DOI 10.1126/science.292.5519.1131 Mans A, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.195410 Paggel JJ, 1999, SCIENCE, V283, P1709, DOI 10.1126/science.283.5408.1709 Schmidt T, 2001, SURF SCI, V480, P137, DOI 10.1016/S0039-6028(01)00828-7 Schmitsdorf RF, 1999, EUR PHYS J B, V7, P457, DOI 10.1007/s100510050634 SMITH NV, 1985, PHYS REV B, V32, P3549, DOI 10.1103/PhysRevB.32.3549 Su WB, 2001, PHYS REV LETT, V86, P5116, DOI 10.1103/PhysRevLett.86.5116 TRINGIDES MC, COMMUNICATION Wei CM, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233408 WEI CM, UNPUBUpton, MH Wei, CM Chou, MY Miller, T Chiang, TCAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jul}, pages = {4}, type = {Article}, abstract = {

Atomically uniform Pb films are successfully prepared on Si(111), despite a large lattice mismatch. Angle-resolved photoemission measurements of the electronic structure show layer-resolved quantum well states which can be correlated with dramatic variations in thermal stability. The odd film thicknesses N=5, 7, and 9 monolayers show sharp quantum well states. The even film thicknesses N=6 and 8 do not, but are much more stable than the odd film thicknesses. This correlation is discussed in terms of a total energy calculation and Friedel-like oscillations in properties.

}, keywords = {GROWTH, PHOTOEMISSION, SCHOTTKY-BARRIER, STATES, SURFACES}, isbn = {0031-9007}, url = {://WOS:000222532100057}, author = {Upton, M. H. and Wei, C. M. and Chou, M. Y. and Miller, T. and Chiang, T. C.} } @article {526, title = {Structure determination of surface magic clusters}, journal = {Physical Review Letters}, volume = {92}, number = {6}, year = {2004}, note = {

ISI Document Delivery No.: 773WMTimes Cited: 38Cited Reference Count: 19Cited References: Brune H, 1998, SURF SCI REP, V31, P121 Brune H, 1998, NATURE, V394, P451 Hwang IS, 1999, PHYS REV LETT, V83, P120, DOI 10.1103/PhysRevLett.83.120 Jia JF, 2002, APPL PHYS LETT, V80, P3186, DOI 10.1063/1.1474620 Jia JF, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165412 KIRKPATRICK S, 1983, SCIENCE, V220, P671, DOI 10.1126/science.220.4598.671 Kotlyar VG, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.165401 Kotlyar VG, 2003, PHYS REV LETT, V91, DOI 10.1103/PhysRevLett.91.026104 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 Lai MY, 1999, PHYS REV B, V60, P1764, DOI 10.1103/PhysRevB.60.1764 Lai MY, 1998, PHYS REV LETT, V81, P164, DOI 10.1103/PhysRevLett.81.164 Lai MY, 2001, PHYS REV B, V64, DOI 10.1103/PhysRevB.64.241404 Li JL, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.066101 METROPOLIS N, 1953, J CHEM PHYS, V21, P1087, DOI 10.1063/1.1699114 RODER H, 1993, NATURE, V366, P141, DOI 10.1038/366141a0 VANHOVE MA, 1986, LOW ENERGY ELECT DIF, pCH4 Vitali L, 1999, PHYS REV LETT, V83, P316, DOI 10.1103/PhysRevLett.83.316 ZEGENHAGEN J, 1989, PHYS REV B, V39, P1298, DOI 10.1103/PhysRevB.39.1298 ZEGENHAGEN J, 1994, PHILOS MAG B, V70, P731, DOI 10.1080/01418639408240246Chang, HH Lai, MY Wei, JH Wei, CM Wang, YLAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Feb}, pages = {4}, type = {Article}, abstract = {

The structure of a type of surface magic cluster is determined by a combination of scanning tunneling microscopy, density-functional calculations, and dynamical low energy electron diffraction. The diffraction method is applicable because these clusters created through hierarchical self-organization of Ga deposited onto a Si(111)-7x7 surface have identical size and structure and form an ordered array with exact translational symmetry. The unprecedented detailed structure information provided by the diffraction measurement is consistent with direct microscopic imaging and theoretical calculations.

}, keywords = {AGGREGATION, GROWTH, NANOSTRUCTURES, SI(111)}, isbn = {0031-9007}, url = {://WOS:000188947700039}, author = {Chang, H. H. and Lai, M. Y. and Wei, J. H. and Wei, C. M. and Wang, Y. L.} } @article {525, title = {Effects of the substrate on quantum well states: A first-principles study for Ag/Fe(100)}, journal = {Physical Review B}, volume = {68}, number = {12}, year = {2003}, note = {

ISI Document Delivery No.: 731AGTimes Cited: 30Cited Reference Count: 25Cited References: BAIBICH MN, 1988, PHYS REV LETT, V61, P2472, DOI 10.1103/PhysRevLett.61.2472 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 COLERIDGE PT, 1982, PHYS REV B, V25, P7818, DOI 10.1103/PhysRevB.25.7818 Crampin S, 1996, PHYS REV B, V53, P13817, DOI 10.1103/PhysRevB.53.13817 Hong HW, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.076104 Hupalo M, 2001, SURF SCI, V493, P526, DOI 10.1016/S0039-6028(01)01262-6 Hupalo M, 2002, PHYS REV B, V65, DOI [10.1103/PhysRevB.65.205406, 10.1103/PhysRevB.65.115406] Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Luh DA, 2001, SCIENCE, V292, P1131, DOI 10.1126/science.292.5519.1131 MCRAE EG, 1981, SURF SCI, V108, P435, DOI 10.1016/0039-6028(81)90559-8 MILLER T, 1988, PHYS REV LETT, V61, P1404, DOI 10.1103/PhysRevLett.61.1404 Ogawa S, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.116801 ORTEGA JE, 1992, PHYS REV LETT, V69, P844, DOI 10.1103/PhysRevLett.69.844 ORTEGA JE, 1993, PHYS REV B, V47, P1540, DOI 10.1103/PhysRevB.47.1540 Otero R, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.115401 Paggel JJ, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233403 Paggel JJ, 2000, PHYS REV B, V61, P1804, DOI 10.1103/PhysRevB.61.1804 Paggel JJ, 1999, SCIENCE, V283, P1709, DOI 10.1126/science.283.5408.1709 Perdew J. P., 1991, ELECT STRUCTURE SOLI Qiu ZQ, 2002, J PHYS-CONDENS MAT, V14, pR169, DOI 10.1088/0953-8984/14/8/201 SMITH NV, 1994, PHYS REV B, V49, P332, DOI 10.1103/PhysRevB.49.332 Su WB, 2001, PHYS REV LETT, V86, P5116, DOI 10.1103/PhysRevLett.86.5116 Tang HR, 2002, CHEM PHYS LETT, V355, P410, DOI 10.1016/S0009-2614(02)00252-X VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892 Zhang ZY, 1998, PHYS REV LETT, V80, P5381, DOI 10.1103/PhysRevLett.80.5381Wei, CM Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Sep}, pages = {5}, type = {Article}, abstract = {

We have studied the properties of quantum well states in supported Ag(100) films on the Fe substrate by first-principles density-functional calculations. The energies of these quantum well states as a function of thickness N are examined in terms of the characteristic phase shift of the electronic wave function at the interface. These energy-dependent phase shifts are determined numerically for both the film-substrate and film-vacuum interfaces. It is also found that the substrate has a major effect on film stability, enhancing the stability of the N=5 film and reversing that of the N=2 film.

}, keywords = {AG, GROWTH, METALLIC OVERLAYERS, PHOTOEMISSION, SUPERLATTICES, SURFACE}, isbn = {1098-0121}, url = {://WOS:000185861900075}, author = {Wei, C. M. and Chou, M. Y.} } @article {523, title = {Diffusion of an adsorbed Si atom on the Si(111)-(7x7) surface}, journal = {Physical Review B}, volume = {67}, number = {3}, year = {2003}, note = {

ISI Document Delivery No.: 644WRTimes Cited: 20Cited Reference Count: 37Cited References: BEDROSSIAN PJ, 1995, PHYS REV LETT, V74, P3648, DOI 10.1103/PhysRevLett.74.3648 BROCKS G, 1991, PHYS REV LETT, V66, P1729, DOI 10.1103/PhysRevLett.66.1729 CEPERLEY DM, 1980, PHYS REV LETT, V45, P566, DOI 10.1103/PhysRevLett.45.566 Cho K, 1997, EUROPHYS LETT, V39, P287, DOI 10.1209/epl/i1997-00349-x Cho KJ, 1998, SURF SCI, V396, pL261, DOI 10.1016/S0039-6028(97)00848-0 Gomezrodriguez JM, 1996, PHYS REV LETT, V76, P799, DOI 10.1103/PhysRevLett.76.799 HOHENBERG P, 1964, PHYS REV B, V136, pB864, DOI 10.1103/PhysRev.136.B864 Hwang IS, 1997, PHYS REV LETT, V78, P4797, DOI 10.1103/PhysRevLett.78.4797 Hwang IS, 1999, PHYS REV LETT, V83, P120, DOI 10.1103/PhysRevLett.83.120 Jeong S, 1997, PHYS REV LETT, V79, P4425, DOI 10.1103/PhysRevLett.79.4425 Kim KY, 1999, PHYS REV LETT, V82, P1329, DOI 10.1103/PhysRevLett.82.1329 KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 Lee SH, 2000, PHYS REV LETT, V84, P1724, DOI 10.1103/PhysRevLett.84.1724 Lee SH, 1999, PHYS REV LETT, V82, P968, DOI 10.1103/PhysRevLett.82.968 Lim H, 1995, PHYS REV B, V52, P17231, DOI 10.1103/PhysRevB.52.17231 Lo RL, 1998, PHYS REV LETT, V80, P5584, DOI 10.1103/PhysRevLett.80.5584 Lo RL, 1998, PHYS REV B, V58, P9867, DOI 10.1103/PhysRevB.58.9867 Lu ZY, 2000, PHYS REV B, V62, P8104, DOI 10.1103/PhysRevB.62.8104 MILLS G, 1995, SURF SCI, V324, P305, DOI 10.1016/0039-6028(94)00731-4 MO YW, 1991, PHYS REV LETT, V66, P1998, DOI 10.1103/PhysRevLett.66.1998 PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 Qin XR, 2000, PHYS REV LETT, V85, P3660, DOI 10.1103/PhysRevLett.85.3660 Sato T, 2000, SURF SCI, V445, P130, DOI 10.1016/S0039-6028(99)01059-6 Sato T, 2000, J VAC SCI TECHNOL A, V18, P960, DOI 10.1116/1.582283 Swartzentruber BS, 1996, PHYS REV LETT, V77, P2518, DOI 10.1103/PhysRevLett.77.2518 Smith AP, 1996, PHYS REV LETT, V77, P1326, DOI 10.1103/PhysRevLett.77.1326 TAKAYANAGI K, 1985, SURF SCI, V164, P367, DOI 10.1016/0039-6028(85)90753-8 Tanida Y, 1996, MAT SCI ENG B-SOLID, V37, P131, DOI 10.1016/0921-5107(95)01470-5 Vitali L, 1999, PHYS REV LETT, V83, P316, DOI 10.1103/PhysRevLett.83.316 Vittadini A, 1995, PHYS REV LETT, V75, P4756, DOI 10.1103/PhysRevLett.75.4756 Vittadini A, 1997, SURF SCI, V383, pL779, DOI 10.1016/S0039-6028(97)00251-3 YU BD, 1993, PHYS REV LETT, V71, P585, DOI 10.1103/PhysRevLett.71.585 ZHANG ZY, 1995, PHYS REV LETT, V74, P3644, DOI 10.1103/PhysRevLett.74.3644Chang, CM Wei, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jan}, pages = {4}, type = {Article}, abstract = {

We present first-principles calculations that provide a detailed diffusion picture of an adsorbed Si atom on the Si(111)-(7x7) surface. Several diffusion paths for the adsorbed Si atom are established by mapping out the total energy as a function of its positions on the surface. For diffusion between the faulted and unfaulted halves, the energy barriers range from 0.96 to 1.21 eV, while remarkable low-energy barriers from 0.3 to 0.7 eV are discovered within the faulted and unfaulted regions.

}, keywords = {AB-INITIO, AD-DIMERS, ADATOM, ADSORPTION, BINDING, DYNAMICS, HYDROGEN-ATOMS, SCANNING-TUNNELING-MICROSCOPY, SI(001), SI(100) SURFACE}, isbn = {1098-0121}, url = {://WOS:000180943800017}, author = {Chang, C. M. and Wei, C. M.} } @article {524, title = {Alternating layer and island growth of Pb on Si by spontaneous quantum phase separation}, journal = {Physical Review Letters}, volume = {90}, number = {7}, year = {2003}, note = {

ISI Document Delivery No.: 647JZTimes Cited: 62Cited Reference Count: 17Cited References: Altfeder IB, 1997, PHYS REV LETT, V78, P2815, DOI 10.1103/PhysRevLett.78.2815 Boettger JC, 1998, J PHYS-CONDENS MAT, V10, P893, DOI 10.1088/0953-8984/10/4/017 Budde K, 2000, PHYS REV B, V61, P10602 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 CRACKNELL AP, 1984, METALS PHONON EL 13C, V3, P275 Gavioli L, 1999, PHYS REV LETT, V82, P129, DOI 10.1103/PhysRevLett.82.129 Hupalo M, 2001, SURF SCI, V493, P526, DOI 10.1016/S0039-6028(01)01262-6 KNIGHT WD, 1984, PHYS REV LETT, V52, P2141, DOI 10.1103/PhysRevLett.52.2141 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Luh DA, 2001, SCIENCE, V292, P1131, DOI 10.1126/science.292.5519.1131 Materzanini G, 2001, PHYS REV B, V63, DOI 10.1103/PhysRevB.63.235405 Otero R, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.115401 Su WB, 2001, PHYS REV LETT, V86, P5116, DOI 10.1103/PhysRevLett.86.5116 Wei CM, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233408 WEITERING HH, 1992, PHYS REV B, V45, P5991, DOI 10.1103/PhysRevB.45.5991 ZANGWILL A, 1988, PHYSICS SURFACES Zhang ZY, 1998, PHYS REV LETT, V80, P5381, DOI 10.1103/PhysRevLett.80.5381Hong, HW Wei, CM Chou, MY Wu, Z Basile, L Chen, H Holt, M Chiang, TCAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Feb}, pages = {4}, type = {Article}, abstract = {

Real-time in situ x-ray studies of continuous Pb deposition on Si(111)-(7x7) at 180 K reveal an unusual growth behavior. A wetting layer forms first to cover the entire surface. Then islands of a fairly uniform height of about five monolayers form on top of the wetting layer and grow to fill the surface. The growth then switches to a layer-by-layer mode upon further deposition. This behavior of alternating layer and island growth can be attributed to spontaneous quantum phase separation based on a first-principles calculation of the system energy.

}, keywords = {ENERGIES, FILMS, HEIGHT, PB/SI(111)-(7X7), UNIFORM}, isbn = {0031-9007}, url = {://WOS:000181090800032}, author = {Hong, H. W. and Wei, C. M. and Chou, M. Y. and Wu, Z. and Basile, L. and Chen, H. and Holt, M. and Chiang, T. C.} } @article {520, title = {Holographic images of Pt(111) using Kikuchi electron diffraction}, journal = {Physical Review B}, volume = {65}, number = {7}, year = {2002}, note = {

ISI Document Delivery No.: 524UHTimes Cited: 1Cited Reference Count: 15Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 FRANK DG, 1990, SCIENCE, V247, P182, DOI 10.1126/science.247.4939.182 Hong IH, 1997, SURF REV LETT, V4, P733, DOI 10.1142/S0218625X97000730 Hong IH, 1996, PHYS REV B, V54, P4762, DOI 10.1103/PhysRevB.54.4762 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 Luh DA, 1998, PHYS REV LETT, V81, P4160, DOI 10.1103/PhysRevLett.81.4160 PETERSEN BL, 1994, CHEM PHYS LETT, V220, P46, DOI 10.1016/0009-2614(94)00122-7 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 SALDIN DK, 1992, PHYS REV B, V45, P9629, DOI 10.1103/PhysRevB.45.9629 Shen TS, 1999, SURF REV LETT, V6, P97, DOI 10.1142/S0218625X99000111 SZOKE A, UNPUB TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WOODRUFF DP, 1993, SURF SCI, V283, P309, DOI 10.1016/0039-6028(93)90996-WFang, YP Chou, YC Haung, DJ Wei, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Feb}, pages = {4}, type = {Article}, abstract = {

Three-dimensional atomic images of a Pt(111) surface are obtained by direct inversion of multiple low-energy Kikuchi electron-diffraction patterns. The images are in the backscattering direction. and the positions of the images are consistent with those expected from the atomic structure near the Pt(111) surface. The strong electron scattering of the Pt atoms causes no observable problems in the Kikuchi electron holography.

}, keywords = {ATOMIC-STRUCTURE, ORDERED TRIMERS, PHOTOELECTRON HOLOGRAPHY, SURFACE, WAVE}, isbn = {1098-0121}, url = {://WOS:000174030900025}, author = {Fang, Y. P. and Chou, Y. C. and Haung, D. J. and Wei, C. M.} } @article {521, title = {Atomic-layer-resolved quantum oscillations in the work function: Theory and experiment for Ag/Fe(100)}, journal = {Physical Review B}, volume = {66}, number = {23}, year = {2002}, note = {

ISI Document Delivery No.: 633JLTimes Cited: 51Cited Reference Count: 20Cited References: BATRA IP, 1986, PHYS REV B, V34, P8246, DOI 10.1103/PhysRevB.34.8246 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 CIRACI S, 1986, PHYS REV B, V33, P4294, DOI 10.1103/PhysRevB.33.4294 FEIBELMAN PJ, 1984, PHYS REV B, V29, P6463, DOI 10.1103/PhysRevB.29.6463 FEIBELMAN PJ, 1983, PHYS REV B, V27, P1991, DOI 10.1103/PhysRevB.27.1991 JAKLEVIC RC, 1975, PHYS REV B, V12, P4146, DOI 10.1103/PhysRevB.12.4146 JAKLEVIC RC, 1971, PHYS REV LETT, V26, P88, DOI 10.1103/PhysRevLett.26.88 Kiejna A, 1999, SURF SCI, V432, P54, DOI 10.1016/S0039-6028(99)00510-5 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 Paggel JJ, 2000, PHYS REV B, V61, P1804, DOI 10.1103/PhysRevB.61.1804 Paggel JJ, 1999, SCIENCE, V283, P1709, DOI 10.1126/science.283.5408.1709 Paggel JJ, 1999, PHYS REV LETT, V83, P1415, DOI 10.1103/PhysRevLett.83.1415 Paggel JJ, 1998, PHYS REV LETT, V81, P5632, DOI 10.1103/PhysRevLett.81.5632 Perdew J. P., 1991, ELECT STRUCTURE SOLI SAALFRANK P, 1992, SURF SCI, V274, P449, DOI 10.1016/0039-6028(92)90850-6 SCHULTE FK, 1976, SURF SCI, V55, P427, DOI 10.1016/0039-6028(76)90250-8 Smoluchowski R, 1941, PHYS REV, V60, P661, DOI 10.1103/PhysRev.60.661 Tang HR, 2002, CHEM PHYS LETT, V355, P410, DOI 10.1016/S0009-2614(02)00252-X YOFFE AD, 1993, ADV PHYS, V42, P173, DOI 10.1080/00018739300101484Paggel, JJ Wei, CM Chou, MY Luh, DA Miller, T Chiang, TCAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {4}, type = {Article}, abstract = {

The work function of atomically uniform Ag films grown on Fe(100) is measured as a function of film thickness. It shows layer-resolved variations as a result of quantum confinement of the valence electrons. A first-principles calculation reproduces the observed variations except for very thin films (one and two monolayers), and the differences can be attributed, in part, to strain effects caused by the lattice mismatch between Ag and Fe. These results illustrate the close interaction between interface effects and surface properties.

}, keywords = {AG, BAND-STRUCTURE, CRYSTALLINE, THIN METAL-FILMS, WELLS}, isbn = {1098-0121}, url = {://WOS:000180279400030}, author = {Paggel, J. J. and Wei, C. M. and Chou, M. Y. and Luh, D. A. and Miller, T. and Chiang, T. C.} } @article {522, title = {Theory of quantum size effects in thin Pb(111) films}, journal = {Physical Review B}, volume = {66}, number = {23}, year = {2002}, note = {

ISI Document Delivery No.: 633JLTimes Cited: 177Cited Reference Count: 30Cited References: Altfeder IB, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.206801 Altfeder IB, 1997, PHYS REV LETT, V78, P2815, DOI 10.1103/PhysRevLett.78.2815 Altfeder IB, 1998, PHYS REV LETT, V80, P4895, DOI 10.1103/PhysRevLett.80.4895 BATRA IP, 1986, PHYS REV B, V34, P8246, DOI 10.1103/PhysRevB.34.8246 Boettger JC, 1998, J PHYS-CONDENS MAT, V10, P893, DOI 10.1088/0953-8984/10/4/017 Budde K, 2000, PHYS REV B, V61, P10602 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 CIRACI S, 1986, PHYS REV B, V33, P4294, DOI 10.1103/PhysRevB.33.4294 FEIBELMAN PJ, 1984, PHYS REV B, V29, P6463, DOI 10.1103/PhysRevB.29.6463 Feibelman PJ, 2002, PHYS REV B, V65, DOI 10.1103/PhysRevB.65.129902 FEIBELMAN PJ, 1983, PHYS REV B, V27, P1991, DOI 10.1103/PhysRevB.27.1991 Gavioli L, 1999, PHYS REV LETT, V82, P129, DOI 10.1103/PhysRevLett.82.129 Hupalo M, 2001, SURF SCI, V493, P526, DOI 10.1016/S0039-6028(01)01262-6 Hupalo M, 2002, PHYS REV B, V65, DOI [10.1103/PhysRevB.65.205406, 10.1103/PhysRevB.65.115406] Kiejna A, 1999, SURF SCI, V432, P54, DOI 10.1016/S0039-6028(99)00510-5 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 MANS A, UNPUB Materzanini G, 2001, PHYS REV B, V63, DOI 10.1103/PhysRevB.63.235405 Otero R, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.115401 Perdew J. P., 1991, ELECT STRUCTURE SOLI SAALFRANK P, 1992, SURF SCI, V274, P449, DOI 10.1016/0039-6028(92)90850-6 SCHULTE FK, 1977, PHYS STATUS SOLIDI B, V79, P149 SCHULTE FK, 1976, SURF SCI, V55, P427, DOI 10.1016/0039-6028(76)90250-8 Smith AR, 1996, SCIENCE, V273, P226, DOI 10.1126/science.273.5272.226 Su WB, 2001, PHYS REV LETT, V86, P5116, DOI 10.1103/PhysRevLett.86.5116 VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892 WEITERING HH, 1992, PHYS REV B, V45, P5991, DOI 10.1103/PhysRevB.45.5991 Wojciechowski KF, 1998, SURF SCI, V397, P53, DOI 10.1016/S0039-6028(97)00715-2 Yeh V, 2000, PHYS REV LETT, V85, P5158, DOI 10.1103/PhysRevLett.85.5158 Zhang ZY, 1998, PHYS REV LETT, V80, P5381, DOI 10.1103/PhysRevLett.80.5381Wei, CM Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {4}, type = {Article}, abstract = {

We have carried out first-principles calculations of Pb (111) films up to 25 monolayers to study the oscillatory quantum size effects exhibited in the surface energy and work function. These oscillations are correlated with the thickness dependence of the energies of confined electrons, which can be properly modeled by an energy-dependent phase shift of the electronic wave function upon reflection at the interface. It is found that a quantitative description of these quantum size effects requires a full consideration of the crystal band structure.

}, keywords = {ENERGIES, GROWTH, HEIGHT, ISLANDS, METAL-FILMS, PB, PB/SI(111)-(7X7), UNIFORM}, isbn = {1098-0121}, url = {://WOS:000180279400035}, author = {Wei, C. M. and Chou, M. Y.} } @article {519, title = {Atomic structures by direct transform of diffraction patterns}, journal = {Journal of Physics and Chemistry of Solids}, volume = {62}, number = {9-10}, year = {2001}, note = {

ISI Document Delivery No.: 467GWTimes Cited: 1Cited Reference Count: 49Cited References: Abukawa T, 1999, PHYS REV LETT, V82, P335, DOI 10.1103/PhysRevLett.82.335 BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 Chang CY, 1999, PHYS REV LETT, V83, P2580, DOI 10.1103/PhysRevLett.83.2580 Chang CY, 1999, PHYS REV B, V59, P10453, DOI 10.1103/PhysRevB.59.R10453 CHESTER M, 1991, SURF SCI, V256, P135, DOI 10.1016/0039-6028(91)91209-G DABROWSKI J, 1994, PHYS REV LETT, V73, P1660 DING YG, 1991, PHYS REV LETT, V67, P1454, DOI 10.1103/PhysRevLett.67.1454 DING YG, 1992, SURF SCI, V275, pL691, DOI 10.1016/0039-6028(92)90785-5 DOMISCH D, 1991, PHYS REV B, V44, P11 Feng YP, 1996, PHYS REV B, V54, P4766, DOI 10.1103/PhysRevB.54.4766 Gai Z, 1996, PHYS REV B, V54, P8593, DOI 10.1103/PhysRevB.54.8593 HADLEY MJ, 1993, SURF SCI, V280, P258, DOI 10.1016/0039-6028(93)90679-E HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HASEGAWA T, 1990, J VAC SCI TECHNOL A, V8, P241, DOI 10.1116/1.577075 Hong IH, 1997, SURF REV LETT, V4, P733, DOI 10.1142/S0218625X97000730 Hong IH, 1996, PHYS REV B, V54, P4762, DOI 10.1103/PhysRevB.54.4762 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 HUANG H, 1994, SURF REV LETT, V1, P221, DOI 10.1142/S0218625X94000229 ICHIMIYA A, 1989, APPL SURF SCI, V41-2, P82, DOI 10.1016/0169-4332(89)90037-8 JACOBI K, 1993, SURF SCI, V284, P223, DOI 10.1016/0039-6028(93)90493-4 JENG PR, 1995, PHYS REV B, V51, P13645, DOI 10.1103/PhysRevB.51.13645 KNALL J, 1991, PHYS REV LETT, V66, P1733, DOI 10.1103/PhysRevLett.66.1733 Luh DA, 1998, PHYS REV LETT, V81, P4160, DOI 10.1103/PhysRevLett.81.4160 MYLER U, 1989, SURF SCI, V220, P353, DOI 10.1016/0039-6028(89)90238-0 NOGAMI J, 1994, SURF REV LETT, V1, P395, DOI 10.1142/S0218625X94000369 NOGAMI J, 1990, PHYS REV LETT, V65, P1611, DOI 10.1103/PhysRevLett.65.1611 OVER H, 1993, PHYS REV B, V48, P15353, DOI 10.1103/PhysRevB.48.15353 QUINN J, 1992, PHYS REV B, V46, P7288, DOI 10.1103/PhysRevB.46.7288 RANKE W, 1990, PHYS REV B, V41, P5243, DOI 10.1103/PhysRevB.41.5243 Sakama H, 1996, PHYS REV B, V53, P6927, DOI 10.1103/PhysRevB.53.6927 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 Saldin DK, 1997, SURF REV LETT, V4, P991, DOI 10.1142/S0218625X97001176 SALVAN F, 1985, SURF SCI, V162, P634, DOI 10.1016/0039-6028(85)90959-8 SZOKE A, 1986, AIP C P, V147 TAKAHASHI T, 1988, JPN J APPL PHYS 2, V27, pL753, DOI 10.1143/JJAP.27.L753 TAKAMI T, 1994, JPN J APPL PHYS 1, V33, P3688, DOI 10.1143/JJAP.33.3688 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 Van Hove M. A., 1986, LOW ENERGY ELECT DIF VLIEG E, 1991, PHYS REV B, V43, P7185, DOI 10.1103/PhysRevB.43.7185 Vogler H, 1998, PHYS REV B, V57, P2315, DOI 10.1103/PhysRevB.57.2315 WAN KJ, 1992, PHYS REV B, V45, P9509, DOI 10.1103/PhysRevB.45.9509 WANG J, 1996, PHYS REV B, V54, P13 WATANABE S, 1991, PHYS REV B, V44, P8330, DOI 10.1103/PhysRevB.44.8330 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, UNPUB WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WEI CM, 1994, PHYS REV LETT, V72, P2434, DOI 10.1103/PhysRevLett.72.2434Chang, CY Hong, IH Chou, YC Wei, CMPERGAMON-ELSEVIER SCIENCE LTDOXFORD

}, month = {Sep-Oct}, pages = {1777-1788}, type = {Article}, abstract = {

We propose all the diffraction patterns can be directly transformed to provide three-dimensional atomic structures for the system studied. Depending on the scattering process, either the holography or Patterson transform scheme is used. For diffraction patterns which are generated from a localized emitter source or dominated by an inelastic-scattering feature like core-level photoelectron or low-energy Kikuchi electron, holography transform is needed. On the other hand, for diffraction patterns which were dominated by elastic-scattering, like grazing-incidence X-ray diffraction, electron correlated thermal diffuse scattering or low-energy electron diffraction curves, Patterson transform is needed. To prove our point, high-fidelity and artifact-free three-dimensional atomic structures obtained by transform of low-energy Kikuchi electron patterns and low-energy electron diffraction curves are presented. The future of these direct methods by transforming diffraction patterns will be discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

}, keywords = {ENERGY-ELECTRON-DIFFRACTION, GEOMETRIC, IMAGES, LEED, ORDERED TRIMERS, PHOTOELECTRON HOLOGRAPHY, RECONSTRUCTIONS, SCANNING-TUNNELING-MICROSCOPY, SI(113) SURFACE, STRUCTURE, X-RAY-DIFFRACTION}, isbn = {0022-3697}, url = {://WOS:000170694900019}, author = {Chang, C. Y. and Hong, I. H. and Chou, Y. C. and Wei, C. M.} } @article {518, title = {Surface structures by direct transform of electron diffraction patterns}, journal = {Journal of Physics-Condensed Matter}, volume = {13}, number = {47}, year = {2001}, note = {

ISI Document Delivery No.: 505YPTimes Cited: 0Cited Reference Count: 49Cited References: Abukawa T, 1999, PHYS REV LETT, V82, P335, DOI 10.1103/PhysRevLett.82.335 AHN H, 2001, OHYS REV LETT, V86, P2818 BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BAUER E, 1995, PHYS REV B, V51, P17891, DOI 10.1103/PhysRevB.51.17891 Chang CY, 1999, PHYS REV LETT, V83, P2580, DOI 10.1103/PhysRevLett.83.2580 Chang CY, 1999, PHYS REV B, V59, P10453, DOI 10.1103/PhysRevB.59.R10453 Chen X, 1996, SURF SCI, V356, P28, DOI 10.1016/0039-6028(96)00036-2 DABROWSKI J, 1994, PHYS REV LETT, V73, P1660 DING YG, 1991, PHYS REV LETT, V67, P1454, DOI 10.1103/PhysRevLett.67.1454 DING YG, 1992, SURF SCI, V275, pL691, DOI 10.1016/0039-6028(92)90785-5 Gai Z, 1996, PHYS REV B, V54, P8593, DOI 10.1103/PhysRevB.54.8593 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 Hong IH, 1997, SURF REV LETT, V4, P733, DOI 10.1142/S0218625X97000730 Hong IH, 1996, PHYS REV B, V54, P4762, DOI 10.1103/PhysRevB.54.4762 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 HUANG H, 1994, SURF REV LETT, V1, P221, DOI 10.1142/S0218625X94000229 JOCOBI K, 1993, SURF SCI, V284, P223 KNALL J, 1991, PHYS REV LETT, V66, P1733, DOI 10.1103/PhysRevLett.66.1733 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Laracuente A, 1998, PHYS REV LETT, V81, P5177, DOI 10.1103/PhysRevLett.81.5177 LIU AY, 1990, PHYS REV B, V41, P10727, DOI 10.1103/PhysRevB.41.10727 Luh DA, 1998, PHYS REV LETT, V81, P4160, DOI 10.1103/PhysRevLett.81.4160 MARTENSSON P, 1990, PHYS REV B, V42, P7230, DOI 10.1103/PhysRevB.42.7230 Morita Y, 1999, SURF SCI, V443, pL1037, DOI 10.1016/S0039-6028(99)01021-3 Nakatani S, 1996, SURF SCI, V357, P65, DOI 10.1016/0039-6028(96)00059-3 NISHIJIMA M, 1984, SURF SCI, V137, P473, DOI 10.1016/0039-6028(84)90524-7 NOGAMI J, 1994, SURF REV LETT, V1, P395, DOI 10.1142/S0218625X94000369 RANKE W, 1990, PHYS REV B, V41, P5243, DOI 10.1103/PhysRevB.41.5243 Rottger B, 1996, J VAC SCI TECHNOL B, V14, P1051 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 Saldin DK, 1997, SURF REV LETT, V4, P991, DOI 10.1142/S0218625X97001176 Wang XS, 1999, PHYS REV B, V60, pR2146, DOI 10.1103/PhysRevB.60.R2146 SZOKE A, 1986, AIP C P, V147 TAKAHASHI T, 1988, JPN J APPL PHYS 2, V27, pL753, DOI 10.1143/JJAP.27.L753 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 Van Hove M. A., 1986, LOW ENERGY ELECT DIF Vogler H, 1998, PHYS REV B, V57, P2315, DOI 10.1103/PhysRevB.57.2315 WANG J, 1996, PHYS REV B, V54, P13774 WATANABE S, 1991, PHYS REV B, V44, P8330, DOI 10.1103/PhysRevB.44.8330 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, UNPUB WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WEI CM, 1994, PHYS REV LETT, V72, P2434, DOI 10.1103/PhysRevLett.72.2434 XU YN, 1995, PHYS REV B, V51, P17379, DOI 10.1103/PhysRevB.51.17379 Zhao GL, 1998, PHYS REV B, V58, P1887, DOI 10.1103/PhysRevB.58.1887Chang, CY Hong, IH Chou, YC Wei, CMIOP PUBLISHING LTDBRISTOL

}, month = {Nov}, pages = {10709-10728}, type = {Article}, abstract = {

We find that electron diffraction patterns can be directly inverted to provide three-dimensional atomic structures for the system studied. Depending on the scattering process, either holography or a Patterson inversion scheme is used. For diffraction patterns which were generated from a localized emitter source or predominantly by an inelastic-scattering feature like low-energy Kikuchi electrons, holography inversion is needed. The information obtained from Kikuchi electron holography includes the building blocks on the surface and their relative position to the atoms below the surface layer. On the other hand, for diffraction patterns generated predominantly by an inelastic-scattering feature like low-energy electron diffraction (LEED), a Patterson inversion is needed. The information obtained from the Patterson transform of the LEED I(E) curves is the relative positions of surface atoms to the atoms in underlying layers; no intra-layer information can be extracted with this method. High-fidelity and artifact-free three-dimensional atomic structures obtained by inversion of low-energy Kikuchi electron patterns and low-energy electron diffraction curves are presented. The results from the two inversion methods are complementary and can be used to construct or to discriminate the surface atomic structural models. The future of these direct methods by inverting diffraction patterns is discussed.

}, keywords = {ATOMIC-STRUCTURE, MOLECULAR-DYNAMICS, MULTIPLE-SCATTERING, ORDERED TRIMERS, PHOTOELECTRON HOLOGRAPHY, RECONSTRUCTION, SCANNING-TUNNELING-MICROSCOPY, SI(111), SILICON-NITRIDE, X-RAY-DIFFRACTION}, isbn = {0953-8984}, url = {://WOS:000172943400013}, author = {Chang, C. Y. and Hong, I. H. and Chou, Y. C. and Wei, C. M.} } @article {516, title = {Structure determination of the Si3N4/Si(111)-(8 x 8) surface: A combined study of Kikuchi electron holography, scanning tunneling microscopy, and ab initio calculations}, journal = {Physical Review Letters}, volume = {86}, number = {13}, year = {2001}, note = {

ISI Document Delivery No.: 414YDTimes Cited: 37Cited Reference Count: 32Cited References: AVOURIS P, 1989, PHYS REV B, V39, P5091, DOI 10.1103/PhysRevB.39.5091 Bachlechner ME, 2000, PHYS REV LETT, V84, P322, DOI 10.1103/PhysRevLett.84.322 BAUER E, 1995, PHYS REV B, V51, P17891, DOI 10.1103/PhysRevB.51.17891 BOZSO F, 1988, PHYS REV B, V38, P3937, DOI 10.1103/PhysRevB.38.3937 Chang CY, 1999, PHYS REV B, V59, P10453, DOI 10.1103/PhysRevB.59.R10453 DUFOUR G, 1994, SURF SCI, V304, P33, DOI 10.1016/0039-6028(94)90750-1 Garfunkel E., 1998, FUNDAMENTAL ASPECTS Ha JS, 1998, APPL PHYS A-MATER, V66, pS495, DOI 10.1007/s003390051190 ISU T, 1982, SOLID STATE COMMUN, V42, P477, DOI 10.1016/0038-1098(82)90977-2 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 LIU AY, 1990, PHYS REV B, V41, P10727, DOI 10.1103/PhysRevB.41.10727 Losio R, 2000, PHYS REV B, V61, P10845, DOI 10.1103/PhysRevB.61.10845 MEYER C, 1995, PHYS REV LETT, V74, P3001, DOI 10.1103/PhysRevLett.74.3001 Morita Y, 1999, SURF SCI, V443, pL1037, DOI 10.1016/S0039-6028(99)01021-3 NISHIJIMA M, 1984, SURF SCI, V137, P473, DOI 10.1016/0039-6028(84)90524-7 Omeltchenko A, 2000, PHYS REV LETT, V84, P318, DOI 10.1103/PhysRevLett.84.318 ROBERTSON J, 1983, J APPL PHYS, V54, P4490, DOI 10.1063/1.332647 ROBERTSON J, 1981, PHILOS MAG B, V44, P215, DOI 10.1080/01418638108222558 Rottger B, 1996, J VAC SCI TECHNOL B, V14, P1051 SCHROTT AG, 1981, SURF SCI, V111, P39, DOI 10.1016/0039-6028(81)90473-8 SCHROTT AG, 1982, SURF SCI, V123, P204, DOI 10.1016/0039-6028(82)90323-5 Shen TS, 1999, SURF REV LETT, V6, P97, DOI 10.1142/S0218625X99000111 VANBOMME.AJ, 1967, SURF SCI, V8, P381, DOI 10.1016/0039-6028(67)90046-5 WANG H, 1999, SURF SCI, V443, pL1037 WANG XS, 1999, PHYS REV B, V60, P2146 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WIGGINS MD, 1981, J VAC SCI TECHNOL, V18, P965, DOI 10.1116/1.570965 XU YN, 1995, PHYS REV B, V51, P17379, DOI 10.1103/PhysRevB.51.17379 Zhao GL, 1998, PHYS REV B, V58, P1887, DOI 10.1103/PhysRevB.58.1887 ZHOU RH, 1991, SURF SCI, V249, P129Ahn, H Wu, CL Gwo, S Wei, CM Chou, YCAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Mar}, pages = {2818-2821}, type = {Article}, abstract = {

A comprehensive atomic model for the reconstructed surface of Si3N4 thin layer grown on Si(lll) is presented. Kikuchi electron holography images clearly show the existence of adatoms on the Si3N4(0001)/Si(111)-(8 x 8) surface. Compared with the nb initio calculations, more than 30 symmetry-inequivalent atomic pairs in the outmost layers are successfully identified. Scanning tunneling microscopy (STM) images show diamond-shaped unit cells and nine adatoms in each cell. High-resolution STM images reveal extra features and are in good agreement with the partial charge density distribution obtained from total-energy calculations.

}, keywords = {ADSORPTION, LEED, MOLECULAR-DYNAMICS SIMULATION, NITROGEN-ATOMS, NO, PARALLEL COMPUTERS, SI(111) SURFACES, SILICON-NITRIDE, SPECTROSCOPY, THERMAL NITRIDATION}, isbn = {0031-9007}, url = {://WOS:000167693000030}, author = {Ahn, H. and Wu, C. L. and Gwo, S. and Wei, C. M. and Chou, Y. C.} } @article {517, title = {Self-diffusion of adatoms on Ni(100) surfaces}, journal = {Journal of Physics-Condensed Matter}, volume = {13}, number = {17}, year = {2001}, note = {

ISI Document Delivery No.: 431JYTimes Cited: 18Cited Reference Count: 26Cited References: AYRAULT G, 1974, J CHEM PHYS, V60, P281, DOI 10.1063/1.1680781 BASSETT DW, 1978, SURF SCI, V70, P520, DOI 10.1016/0039-6028(78)90429-6 CEPERLEY DM, 1980, PHYS REV LETT, V45, P566, DOI 10.1103/PhysRevLett.45.566 CHEN CL, 1990, PHYS REV LETT, V64, P3147, DOI 10.1103/PhysRevLett.64.3147 Feibelman PJ, 1999, PHYS REV B, V59, P5892, DOI 10.1103/PhysRevB.59.5892 FEIBELMAN PJ, 1990, PHYS REV LETT, V65, P729, DOI 10.1103/PhysRevLett.65.729 Fu TY, 2000, SURF SCI, V454, P571, DOI 10.1016/S0039-6028(00)00095-9 Hohenberg P., 1964, PHYS REV B, V136, P864 KELLOGG GL, 1994, SURF SCI REP, V21, P1, DOI 10.1016/0167-5729(94)90007-8 KELLOGG GL, 1990, PHYS REV LETT, V64, P3143, DOI 10.1103/PhysRevLett.64.3143 KELLOGG GL, 1991, J VAC SCI TECHNOL A, V9, P1757, DOI 10.1116/1.577457 KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 Lundqvist S., 1983, THEORY INHOMOGENEOUS MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI 10.1103/PhysRevB.13.5188 Perdew J. P., 1991, ELECT STRUCTURE SOLI PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 TRINGIDES MC, 1997, SURFACE DIFFUSION AT Yu BD, 1997, PHYS REV B, V56, pR15569, DOI 10.1103/PhysRevB.56.R15569 ZANGWILL A, 1988, PHYSICS SURFACESChang, CM Wei, CM Hafner, JIOP PUBLISHING LTDBRISTOL

}, month = {Apr}, pages = {L321-L328}, type = {Letter}, abstract = {

Using ab initio calculations, we fmd that the calculated energy barrier for exchange diffusion of Ni adatoms on Ni(100) surfaces shows a surprisingly large dependence on the size of the surface unit cell. It decreases from 1.39 to 0.78 eV when the cell size changes from (2 x 2) to (6 x 6). This is due to the long-ranged strain field created by the transition state for atomic exchange, which needs a larger cell to relax. The hopping diffusion energy, on the other hand, shows only a very small size effect and remains approximately constant at 0.82-0.86 eV, independently of the cell size. Our results indicate that Ni diffusion on Ni(100) occurs by the exchange mechanism and this is consistent with recent experiments. Previous results obtained using (3 x 3) or (4 x 4) unit cells did not converge sufficiently well to yield correct conclusions.

}, keywords = {ATOMS, EXCHANGE, METAL-SURFACES, MOLECULAR-DYNAMICS, PT(001), TOTAL-ENERGY CALCULATIONS, TRANSITION, WAVE BASIS-SET}, isbn = {0953-8984}, url = {://WOS:000168629100001}, author = {Chang, C. M. and Wei, C. M. and Hafner, J.} } @article {514, title = {Structural and dynamical behavior of Al trimer on Al(111)surface}, journal = {Surface Science}, volume = {465}, number = {1-2}, year = {2000}, note = {

ISI Document Delivery No.: 368PVTimes Cited: 7Cited Reference Count: 28Cited References: Bogicevic A, 1998, PHYS REV LETT, V81, P172, DOI 10.1103/PhysRevLett.81.172 CEPERLEY DM, 1980, PHYS REV LETT, V45, P566, DOI 10.1103/PhysRevLett.45.566 Chang CM, 1996, PHYS REV B, V54, P17083, DOI 10.1103/PhysRevB.54.17083 CHEN CL, 1990, PHYS REV B, V41, P12403, DOI 10.1103/PhysRevB.41.12403 CHEN SP, 1986, PHYS REV LETT, V57, P1308, DOI 10.1103/PhysRevLett.57.1308 CHEN SP, 1990, J MATER RES, V5, P955, DOI 10.1557/JMR.1990.0955 DAW MS, 1983, PHYS REV LETT, V50, P1285, DOI 10.1103/PhysRevLett.50.1285 DAW MS, 1984, PHYS REV B, V29, P6443, DOI 10.1103/PhysRevB.29.6443 Hohenberg P., 1964, PHYS REV B, V136, P864 KELLOGG GL, 1994, SURF SCI REP, V21, P1, DOI 10.1016/0167-5729(94)90007-8 KOHN W, 1965, PHYS REV, V140, P1133 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 LIU CL, 1992, SURF SCI, V268, P73, DOI 10.1016/0039-6028(92)90951-2 Lundqvist S., 1983, THEORY INHOMOGENEOUS MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI 10.1103/PhysRevB.13.5188 PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 SWOPE WC, 1982, J CHEM PHYS, V76, P637, DOI 10.1063/1.442716 TIAN ZJ, 1991, SURF SCI, V258, P427, DOI 10.1016/0039-6028(91)90935-L TRINGIDES MC, 1997, SURFACE DIFFUSION AT TSONG TT, 1990, ATOM PROBE FIELD ION, P202 Voter AF, 1987, MATER RES SOC S P, V82, P175 WANG SC, 1990, SURF SCI, V239, P301, DOI 10.1016/0039-6028(90)90232-W ZANGWILL A, 1988, PHYSICS SURFACESChang, CM Wei, CM Chen, SPELSEVIER SCIENCE BVAMSTERDAM

}, month = {Oct}, pages = {65-75}, type = {Article}, abstract = {

{

Trimer is the smallest cluster that can have a one-dimensional or two-dimensional structure on surfaces, and it can diffuse and transform between these structures. Using first-principles density-functional theory (DFT) calculations, the structural and dynamical behaviors of Al trimer on Al(111) surface have been studied in detail. Al trimer on Al(111) surface has three different kinds of structure conformations (groups with similar configurations): close-packed (compact) triangular trimers, non-compact triangular trimers, and linear trimers. The close-packed triangular trimers are more stable than the non-compact triangular trimers and the linear trimers, while most of the non-compact triangular trimers are as stable as the linear trimers. For the dynamics of Al trimer on Al(111) surface, there are three different kinds of diffusion mechanisms: (1) concerted translations and rotation of compact triangular trimers (the highest energy barrier by DFT calculation

}, keywords = {aluminum, CLUSTERS, density functional calculations, DIFFUSION, IR SURFACES, METALS, molecular dynamics, MOLECULAR-DYNAMICS, NI, SIMULATION, SURFACE, SURFACE-DIFFUSION, TOTAL-ENERGY CALCULATIONS, TRANSITION, WAVE BASIS-SET}, isbn = {0039-6028}, url = {://WOS:000090127400009}, author = {Chang, C. M. and Wei, C. M. and Chen, S. P.} } @article {515, title = {Self-diffusion of small clusters on fcc metal (111) surfaces}, journal = {Physical Review Letters}, volume = {85}, number = {5}, year = {2000}, note = {

ISI Document Delivery No.: 339BDTimes Cited: 41Cited Reference Count: 19Cited References: Bogicevic A, 1998, PHYS REV LETT, V81, P172, DOI 10.1103/PhysRevLett.81.172 CHANG C, IN PRESS Chang CM, 1996, PHYS REV B, V54, P17083, DOI 10.1103/PhysRevB.54.17083 DAW MS, 1984, PHYS REV B, V29, P6443, DOI 10.1103/PhysRevB.29.6443 KELLOGG GL, 1994, PHYS REV LETT, V73, P1833, DOI 10.1103/PhysRevLett.73.1833 KELLOGG GL, 1994, SURF SCI REP, V21, P1, DOI 10.1016/0167-5729(94)90007-8 KOHN W, 1965, PHYS REV, V140, P1133 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 LIU CL, 1991, SURF SCI, V253, P334, DOI 10.1016/0039-6028(91)90604-Q LIU CL, 1992, SURF SCI, V268, P73, DOI 10.1016/0039-6028(92)90951-2 PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 Shi ZP, 1996, PHYS REV LETT, V76, P4927, DOI 10.1103/PhysRevLett.76.4927 Stumpf R, 1996, PHYS REV B, V53, P4958, DOI 10.1103/PhysRevB.53.4958 TRINGIDES MC, 1997, SURFACE DIFFUSION AT Voter AF, 1987, MATER RES SOC S P, V82, P175 WANG SC, 1990, SURF SCI, V239, P301, DOI 10.1016/0039-6028(90)90232-W ZANGWILL A, 1988, PHYSICS SURFACESChang, CM Wei, CM Chen, SPAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jul}, pages = {1044-1047}, type = {Article}, abstract = {

We use ab initio density-functional theory supplemented with the embedded-atom method to study the self-diffusion of small clusters on the (111) surface of eight fee metals. A zigzag motion is found to be important in the dimer and tetramer diffusions. The dimer diffuses by a zigzag and concerted motion. The trimer diffuses by a concerted three-atom motion. The tetramer diffuses through a zigzag motion where only two atoms move simultaneously in each step. Thus, instead of increasing, the migration energy is lowered (or stays constant) for the tetramer as compared to that for the trimer. This novel break of the upwards trend in migration energy is predicted to be a general phenomenon.

}, keywords = {ADATOMS, AL, MOLECULAR-DYNAMICS, NI}, isbn = {0031-9007}, url = {://WOS:000088457000036}, author = {Chang, C. M. and Wei, C. M. and Chen, S. P.} } @article {513, title = {Direct method of surface structure determination by Patterson analysis of correlated thermal diffuse scattering for Si(001)2X1}, journal = {Physical Review B}, volume = {62}, number = {23}, year = {2000}, note = {

ISI Document Delivery No.: 385GKTimes Cited: 5Cited Reference Count: 22Cited References: Abukawa T, 1998, J ELECTRON SPECTROSC, V88, P533, DOI 10.1016/S0368-2048(97)00270-3 Abukawa T, 1999, PHYS REV LETT, V82, P335, DOI 10.1103/PhysRevLett.82.335 Azaroff L.V., 1968, ELEMENTS XRAY CRYSTA BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 CHADI DJ, 1979, PHYS REV LETT, V43, P43, DOI 10.1103/PhysRevLett.43.43 Felici R, 1997, SURF SCI, V375, P55, DOI 10.1016/S0039-6028(97)80005-2 Gunnella R, 1998, PHYS REV B, V57, P14739, DOI 10.1103/PhysRevB.57.14739 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HEINZ K, 1994, SURF REV LETT, V1, P319, DOI 10.1142/S0218625X94000321 Marks LD, 1998, SURF REV LETT, V5, P1087, DOI 10.1142/S0218625X98001444 RAMSTAD A, 1995, PHYS REV B, V51, P14504, DOI 10.1103/PhysRevB.51.14504 SAKAMOTO T, 1986, JPN J APPL PHYS 2, V25, pL78, DOI 10.1143/JJAP.25.L78 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 SEVILLANO E, 1979, PHYS REV B, V20, P4908, DOI 10.1103/PhysRevB.20.4908 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TROMP RM, 1983, SURF SCI, V133, P137, DOI 10.1016/0039-6028(83)90488-0 Waller I, 1923, Z PHYS, V17, P398, DOI 10.1007/BF01328696 WANG ZL, 1991, ULTRAMICROSCOPY, V38, P181, DOI 10.1016/0304-3991(91)90119-Q WANG ZL, 1992, PHILOS MAG B, V65, P559, DOI 10.1080/13642819208207650 Wang Z.L., 1995, ELASTIC INELASTIC SC WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, 1994, PHYS REV LETT, V72, P2434, DOI 10.1103/PhysRevLett.72.2434Abukawa, T Wei, CM Yoshimura, K Kono, SAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {16069-16073}, type = {Article}, abstract = {

A simple oscillatory intensity variation in medium-energy electron diffraction found recently [Abukawa ei al., Phys. Rev. Lett. 82, 335 (1999)] was termed correlated thermal diffuse scattering (CTDS). The potential of CTDS as a direct surface structural tool has been fully explored for the Si(001)2 X 1 surface at 300 K in a very-grazing-incidence condition. Nearly 2 pi solid-angle, three-dimensional (3D) CTDS patterns were measured for an energy range of 500-2000 eV. The 3D Patterson functions obtained by Fourier inversion of the measured CTDS patterns clearly revealed the building blocks of the Si(001)2 X 1 surface, i.e., the bond orientations and lengths of the buckled Si dimers, within an accuracy of 1 degrees and 0.1 Angstrom, respectively.

}, keywords = {ENERGY-ELECTRON-DIFFRACTION, HOLOGRAPHY, PHOTOELECTRON DIFFRACTION, RECONSTRUCTION}, isbn = {0163-1829}, url = {://WOS:000165995100113}, author = {Abukawa, T. and Wei, C. M. and Yoshimura, K. and Kono, S.} } @article {510, title = {Direct three-dimensional Patterson inversion of low-energy electron diffraction I(E) curves}, journal = {Physical Review Letters}, volume = {83}, number = {13}, year = {1999}, note = {

ISI Document Delivery No.: 238HVTimes Cited: 17Cited Reference Count: 17Cited References: ADAMS DL, 1977, PHYS REV B, V15, P3775, DOI 10.1103/PhysRevB.15.3775 BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BUERGER MJ, 1959, VECTOR SPACE ITS APP Hong IH, 1996, PHYS REV B, V54, P4762, DOI 10.1103/PhysRevB.54.4762 HU P, 1992, NATURE, V360, P656 LAGALLY MG, 1971, PHYS REV LETT, V26, P1557, DOI 10.1103/PhysRevLett.26.1557 MENDEZ MA, 1992, J PHYS-CONDENS MAT, V4, P999, DOI 10.1088/0953-8984/4/4/010 Reuter K, 1997, PHYS REV LETT, V79, P4818, DOI 10.1103/PhysRevLett.79.4818 TONG SY, 1992, PHYS REV LETT, V69, P3654, DOI 10.1103/PhysRevLett.69.3654 TONG SY, 1988, J VAC SCI TECHNOL A, V6, P615, DOI 10.1116/1.575179 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 Van Hove M. A., 1986, LOW ENERGY ELECT DIF WANG J, 1996, PHYS REV B, V54, P13774 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, UNPUBChang, CY Lin, ZC Chou, YC Wei, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Sep}, pages = {2580-2583}, type = {Article}, abstract = {

A Patterson-like scheme is proposed for direct inversion of the conventional low-energy electron diffraction (LEED) intensity versus energy I(E) curves, which is in contrast with the previously suggested holographic scheme. Using the Si(111)-(7 X 7) and Si(113)-(3 X 2) surfaces as examples, high quality three-dimensional images, with a resolution better than 0.5 Angstrom, of both surface atoms and bulk atoms are obtained from the direct Patterson inversion of LEED-I(E) curves with the integral-energy phase-summing method.

}, keywords = {HOLOGRAPHY, INTENSITIES, LEED, RECONSTRUCTION}, isbn = {0031-9007}, url = {://WOS:000082705600026}, author = {Chang, C. Y. and Lin, Z. C. and Chou, Y. C. and Wei, C. M.} } @article {508, title = {Large Fermi density waves on the reconstructed Pt(100) surface}, journal = {Physical Review Letters}, volume = {83}, number = {13}, year = {1999}, note = {

ISI Document Delivery No.: 238HVTimes Cited: 10Cited Reference Count: 29Cited References: ASHCROFT NW, 1976, SOLID STATE PHYS, pCH26 AVOURIS P, 1994, SCIENCE, V264, P942, DOI 10.1126/science.264.5161.942 BAERISWYL D, 1989, INTERACTING ELECT RE BICKEL N, 1985, SURF SCI, V163, P453 BORG A, 1994, SURF SCI, V306, P10, DOI 10.1016/0039-6028(94)91179-7 Carpinelli JM, 1996, NATURE, V381, P398, DOI 10.1038/381398a0 CHANG C, IN PRESS CHANG CS, 1994, PHYS REV LETT, V72, P574, DOI 10.1103/PhysRevLett.72.574 CHANG CS, 1995, JPN J APPL PHYS 1, V34, P3329, DOI 10.1143/JJAP.34.3329 CROMMIE MF, 1993, NATURE, V363, P524, DOI 10.1038/363524a0 ESAKI L, 1991, NATO ASI SERIES FASOLINO A, 1983, SURF SCI, V125, P317, DOI 10.1016/0039-6028(83)90469-7 FIORENTINI V, 1993, PHYS REV LETT, V71, P1051, DOI 10.1103/PhysRevLett.71.1051 FRIEDEL J, 1977, NATO ASI SERIES HASEGAWA Y, 1993, PHYS REV LETT, V71, P1071, DOI 10.1103/PhysRevLett.71.1071 Hofmann P, 1997, PHYS REV LETT, V79, P265, DOI 10.1103/PhysRevLett.79.265 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 Lundqvist S., 1983, THEORY INHOMOGENEOUS Mascaraque A, 1999, PHYS REV LETT, V82, P2524, DOI 10.1103/PhysRevLett.82.2524 OVERHAUS.AW, 1970, PHYS REV B, V2, P874, DOI 10.1103/PhysRevB.2.874 Peierls R. E., 1955, QUANTUM THEORY SOLID PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 Ritz G, 1997, PHYS REV B, V56, P10518, DOI 10.1103/PhysRevB.56.10518 Sprunger PT, 1997, SCIENCE, V275, P1764, DOI 10.1126/science.275.5307.1764 VANHOVE MA, 1981, SURF SCI, V103, P189, DOI 10.1016/0039-6028(81)90107-2 WILLIS RF, 1985, DYNAMICAL PHENOMENA ZANGWILL A, 1988, PHYSICS SURFACES, pCH3Chang, CS Su, WB Wei, CM Tsong, TTAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Sep}, pages = {2604-2607}, type = {Article}, abstract = {

Several long-range superstructures have been observed with the scanning tunneling microscopy on the reconstructed Pt(100) surface at room temperature. They are present in strained domains and involve both the Fermi electrons and the concomitant lattice distortions. A first-principles calculation shows that the top layer expanded similar to 18\% on average and the Fermi surface for a single hexagon layer displays some nesting portions, which can be related to the wave vectors of the observed superstructures. Thus, these superstructures existing in the local domains of the reconstructed surface have the likely origin of incipent charge density waves.

}, keywords = {BASIS-SET, ELECTRON-GAS, FRIEDEL-OSCILLATIONS, GOLD, METALS, STM, TOTAL-ENERGY CALCULATIONS}, isbn = {0031-9007}, url = {://WOS:000082705600032}, author = {Chang, C. S. and Su, W. B. and Wei, C. M. and Tsong, T. T.} } @article {507, title = {Structure and dynamics of Al trimer on Al(111) surface}, journal = {Surface Review and Letters}, volume = {6}, number = {5}, year = {1999}, note = {

ISI Document Delivery No.: 300LQTimes Cited: 0Cited Reference Count: 18Cited References: BRGICEVIC A, 1998, PHYS REV LETT, V81, P172 CEPERLEY DM, 1981, PHYS REV B, V23, P5048 Chang CM, 1996, PHYS REV B, V54, P17083, DOI 10.1103/PhysRevB.54.17083 DAW MS, 1983, PHYS REV LETT, V50, P1285, DOI 10.1103/PhysRevLett.50.1285 Hohenberg P., 1964, PHYS REV B, V136, P864 KELLOGG GL, 1994, SURF SCI REP, V21, P1, DOI 10.1016/0167-5729(94)90007-8 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, J PHYS-CONDENS MAT, V6, P8245, DOI 10.1088/0953-8984/6/40/015 LIU CL, 1992, SURF SCI, V268, P73, DOI 10.1016/0039-6028(92)90951-2 Lundqvist S., 1983, THEORY INHOMOGENEOUS MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI 10.1103/PhysRevB.13.5188 PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 TRINGIDES MC, 1997, SURFACE DIFFUSION AT TSONG TT, 1990, ATOM PROBE FIELD ION, P202 WANG SC, 1990, SURF SCI, V239, P301, DOI 10.1016/0039-6028(90)90232-W ZANGWILL A, 1988, PHYSICS SURFACESChang, CM Wei, CM6th International Conference on the Structure of Surfaces (ICSOS-6)JUL 26-30, 1999VANCOUVER, CANADAUniv British ColumbiaWORLD SCIENTIFIC PUBL CO PTE LTDSINGAPORE

}, month = {Oct}, pages = {787-792}, type = {Article; Proceedings Paper}, abstract = {

{

Trimer is the smallest cluster that can have a one-dimensional or a two-dimensional structure on fee (111) surface. Using first-principles density-functional-theory calculations, the structural and dynamical properties of Al trimer on Al(111) surface have been studied in detail. Al trimer on Al(111) surface has four close-packed (compact) triangular configurations, two linear configurations, and some other noncompact triangular configurations. The close-packed triangular trimers are more stable than the noncompact triangular trimers as well as the linear trimers. For the dynamics of Al trimer on Al(111) surface, the diffusion processes are much more complicated than the adatom and dimer diffusions. There are three different kinds of diffusion mechanisms: concerted translations and rotation of compact triangular trimers (the energy barrier

}, keywords = {CLUSTERS, DIFFUSION, METALS, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET}, isbn = {0218-625X}, url = {://WOS:000086254800030}, author = {Chang, C. M. and Wei, C. M.} } @article {506, title = {Correlated thermal diffuse scattering in low to medium energy electron diffraction: A new structural tool}, journal = {Physical Review Letters}, volume = {82}, number = {2}, year = {1999}, note = {

ISI Document Delivery No.: 156MMTimes Cited: 8Cited Reference Count: 15Cited References: ADAMS DL, 1977, PHYS REV B, V15, P3775, DOI 10.1103/PhysRevB.15.3775 Azaroff L.V., 1968, ELEMENTS XRAY CRYSTA BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BENI G, 1976, PHYS REV B, V14, P1514, DOI 10.1103/PhysRevB.14.1514 Gunnella R, 1998, PHYS REV B, V57, P14739, DOI 10.1103/PhysRevB.57.14739 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HEINZ K, 1994, SURF REV LETT, V1, P319, DOI 10.1142/S0218625X94000321 PENDRY JB, 1974, LOW ENERGY ELECT DIF, pCH6 Reuter K, 1997, PHYS REV LETT, V79, P4818, DOI 10.1103/PhysRevLett.79.4818 Reuter K, 1998, PHYS REV B, V58, P4102, DOI 10.1103/PhysRevB.58.4102 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, 1994, PHYS REV LETT, V72, P2434, DOI 10.1103/PhysRevLett.72.2434Abukawa, T Wei, CM Hanano, T Kono, SAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jan}, pages = {335-338}, type = {Article}, abstract = {

We have observed simple oscillations in three-dimensional (3D) patterns of electron thermal diffuse scattering (separated from electron-electron energy loss) measured on a Si(001) surface. We interpret these oscillations as coherent interference within a small cluster of atoms in which vibrational correlation within the nearest neighbors (NN) is dominant. A 3D Patterson function analysis of the oscillation reveals the atomic structure of the Si(001) surface consisting of NN pairs including dimers. This finding provides a promising new clue to determine the structures of bulk and the surface of solids.

}, keywords = {HOLOGRAPHY, INTENSITIES}, isbn = {0031-9007}, url = {://WOS:000078005200023}, author = {Abukawa, T. and Wei, C. M. and Hanano, T. and Kono, S.} } @article {512, title = {Holographic images of adatoms, dimers and rest atoms on the Si(111)-(7x7) surface}, journal = {Surface Review and Letters}, volume = {6}, number = {1}, year = {1999}, note = {

ISI Document Delivery No.: 214VRTimes Cited: 7Cited Reference Count: 13Cited References: BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BINNIG G, 1983, PHYS REV LETT, V50, P120, DOI 10.1103/PhysRevLett.50.120 BROMMER KD, 1992, PHYS REV LETT, V68, P1355, DOI 10.1103/PhysRevLett.68.1355 Carvalho CAM, 1996, PHYSICA B, V221, P469, DOI 10.1016/0921-4526(95)00968-X Hong IH, 1996, PHYS REV B, V54, P4762, DOI 10.1103/PhysRevB.54.4762 SIEGER MT, 1994, PHYS REV LETT, V73, P3117, DOI 10.1103/PhysRevLett.73.3117 TAKAYANAGI K, 1985, SURF SCI, V164, P549 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1988, J VAC SCI TECHNOL A, V6, P615, DOI 10.1116/1.575179 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 TROMP RM, 1985, SURF SCI, V155, P441, DOI 10.1016/0039-6028(85)90009-3 WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 YAMAGUCHI T, 1984, PHYS REV B, V30, P1992, DOI 10.1103/PhysRevB.30.1992Shen, TS Chang, CY Chou, YC Wei, CMWORLD SCIENTIFIC PUBL CO PTE LTDSINGAPORE

}, month = {Feb}, pages = {97-101}, type = {Article}, abstract = {

The adatoms, dimers and rest atoms in the three outermost atomic layers of the Si(111)-(7 x 7) surface are directly imaged with glancing Kikuchi electron holography. The applicability of Kikuchi electron holography to complicated multiple-emitter surfaces is evident. The three-dimensional relative positions of atoms on the Si(111)-(7 x 7) surface are in good accordance with the LEED-optimized DAS model.

}, keywords = {7X7 RECONSTRUCTION, DIFFRACTION}, isbn = {0218-625X}, url = {://WOS:000081348700010}, author = {Shen, T. S. and Chang, C. Y. and Chou, Y. C. and Wei, C. M.} } @article {511, title = {Direct observations of the surface atomic structure of the Si(111)-(7x7) reconstructed surface with Kikuchi electron holography}, journal = {Surface Review and Letters}, volume = {6}, number = {6}, year = {1999}, note = {

ISI Document Delivery No.: 305TUTimes Cited: 2Cited Reference Count: 10Cited References: BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 CHANG CY, 1999, PHYS REV B, V59, P10563 Hong IH, 1997, SURF REV LETT, V4, P733, DOI 10.1142/S0218625X97000730 Luh DA, 1998, PHYS REV LETT, V81, P4160, DOI 10.1103/PhysRevLett.81.4160 Shen TS, 1999, SURF REV LETT, V6, P97, DOI 10.1142/S0218625X99000111 SZOKE A, 1986, AIP C P, V147 TAKAYANAGI K, 1985, SURF SCI, V164, P367, DOI 10.1016/0039-6028(85)90753-8 TONG SY, 1988, J VAC SCI TECHNOL A, V6, P615, DOI 10.1116/1.575179 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-TChang, CY Shen, TS Chou, YC Wei, CM6th International Conference on the Structure of Surfaces (ICSOS-6)JUL 26-30, 1999VANCOUVER, CANADAUniv British Columbia, Amer Vacuum Soc, Pacific NW Chapter, US DOE, Canadian Soc Chem, Div Surfaces Sci, Canadian Assoc Phys, Div Surfaces Sci, ELMITEC, Elsevier Sci, Int Union Pure \& Appl Phys, Leybold, NRC, Natl Vacuum Technol, OCI, Vacuum Microengn, OMICRON, Phys Electr, SPECS, VG SciWORLD SCIENTIFIC PUBL CO PTE LTDSINGAPORE

}, month = {Dec}, pages = {967-976}, type = {Article; Proceedings Paper}, abstract = {

More than 50 symmetry-inequivalent emitter-scatterer (E-S) pairs were observed for the Si(111)-(7 x 7) surface using Kikchi electron holography (KEH) with various incident/detection configurations. For different configurations, the E-S pairs in the backscattering direction are preferentially enhanced. Thus, one can obtain detailed structural information by changing the incident/detection direction, which will be helpful in sorting out the correct surface structure model.

}, keywords = {DIFFRACTION, IMAGES}, isbn = {0218-625X}, url = {://WOS:000086557100003}, author = {Chang, C. Y. and Shen, T. S. and Chou, Y. C. and Wei, C. M.} } @article {509, title = {Atomic structures and phase transitions of Si(113) reconstructed surfaces: Kikuchi electron holography studies}, journal = {Physical Review B}, volume = {59}, number = {16}, year = {1999}, note = {

ISI Document Delivery No.: 193BETimes Cited: 19Cited Reference Count: 18Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 DABROWSKI J, 1994, PHYS REV LETT, V73, P1660 EAGLESHAM DJ, 1993, PHYS REV LETT, V70, P1643, DOI 10.1103/PhysRevLett.70.1643 Feng YP, 1996, PHYS REV B, V54, P4766, DOI 10.1103/PhysRevB.54.4766 Gai Z, 1996, PHYS REV B, V54, P8593, DOI 10.1103/PhysRevB.54.8593 HADLEY MJ, 1993, SURF SCI, V280, P258, DOI 10.1016/0039-6028(93)90679-E Hong IH, 1997, SURF REV LETT, V4, P733, DOI 10.1142/S0218625X97000730 HUANG H, 1994, SURF REV LETT, V1, P221, DOI 10.1142/S0218625X94000229 JACOBI K, 1993, SURF SCI, V284, P223, DOI 10.1016/0039-6028(93)90493-4 KNALL J, 1991, PHYS REV LETT, V66, P1733, DOI 10.1103/PhysRevLett.66.1733 MYLER U, 1989, SURF SCI, V220, P353, DOI 10.1016/0039-6028(89)90238-0 RANKE W, 1990, PHYS REV B, V41, P5243, DOI 10.1103/PhysRevB.41.5243 Sakama H, 1996, PHYS REV B, V53, P6927, DOI 10.1103/PhysRevB.53.6927 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 Vogler H, 1998, PHYS REV B, V57, P2315, DOI 10.1103/PhysRevB.57.2315 WANG J, 1996, PHYS REV B, V54, P13774 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333Chang, CY Chou, YC Wei, CMAMER PHYSICAL SOCCOLLEGE PK

}, month = {Apr}, pages = {10453-10456}, type = {Article}, abstract = {

Atomic structures of the reconstructed Si(113) surfaces were studied by using Kikuchi electron holography (KEH). Three-dimensional images show clearly the characteristics of the puckering model for both Si(113)(3x2) and (3x1) surfaces. The KEH results support the puckering model. Based on bur studies, the tetramers are puckering alternatively in the (3x2) surface. Whereas in (3X1) structures, there are two domains, within each of them, tetramers buckled uniformly, but the overall directions are opposite. When doped with H atoms on a (3x2) surface, the asymmetric tetramers change into symmetric form. [S0163-1829(99)51116-8].

}, keywords = {GE(113), SI}, isbn = {1098-0121}, url = {://WOS:000080114800015}, author = {Chang, C. Y. and Chou, Y. C. and Wei, C. M.} } @article {504, title = {Photoelectron-diffraction studies of Nb(001)}, journal = {Surface Review and Letters}, volume = {5}, number = {5}, year = {1998}, note = {

ISI Document Delivery No.: 143HLTimes Cited: 15Cited Reference Count: 25Cited References: AEBISCHER HA, 1990, SURF SCI, V239, P261, DOI 10.1016/0039-6028(90)90229-2 BARTYNSKI RA, 1989, PHYS REV B, V40, P5340, DOI 10.1103/PhysRevB.40.5340 DEBE MK, 1979, SURF SCI, V81, P193, DOI 10.1016/0039-6028(79)90513-2 EGELHOFF WF, 1990, CRIT REV SOLID STATE, V16, P213, DOI 10.1080/10408439008244629 ELLIOTT GS, 1991, PHYS REV B, V44, P10826, DOI 10.1103/PhysRevB.44.10826 FADLEY CS, 1992, ADV SURF SCI FADLEY CS, 1984, PROG SURF SCI, V16, P275, DOI 10.1016/0079-6816(84)90001-7 FANG BS, 1993, PHYS REV B, V47, P10671, DOI 10.1103/PhysRevB.47.10671 FANG BS, 1987, PHYS REV B, V36, P7360, DOI 10.1103/PhysRevB.36.7360 FANG BS, 1994, PHYS REV B, V50, P11093, DOI 10.1103/PhysRevB.50.11093 FELTER TE, 1977, PHYS REV LETT, V38, P1138, DOI 10.1103/PhysRevLett.38.1138 FUGGLE JC, 1980, J ELECTRON SPECTROSC, V21, P275, DOI 10.1016/0368-2048(80)85056-0 HOLMBERG S, 1991, SURF SCI, V254, pL475, DOI 10.1016/0039-6028(91)90627-5 INGLESFIELD JE, 1985, PROG SURF SCI, V20, P105, DOI 10.1016/0079-6816(85)90007-3 KIM B, 1993, PHYS REV B, V48, P4735, DOI 10.1103/PhysRevB.48.4735 LUO JS, 1988, PHYS REV B, V38, P1728, DOI 10.1103/PhysRevB.38.1728 MELMED AJ, 1981, SURF SCI, V111, pL701, DOI 10.1016/0039-6028(80)90698-6 METHFESSEL M, 1992, PHYS REV B, V46, P4816, DOI 10.1103/PhysRevB.46.4816 Moruzzi V.L., 1978, CALCULATED ELECT PRO PAN X, 1990, PHYS REV B, V42, P5025, DOI 10.1103/PhysRevB.42.5025 PICK S, 1990, SURF SCI REP, V12, P99 TITOV A, 1982, SURF SCI, V123, pL709, DOI 10.1016/0039-6028(82)90120-0 TONG SY, 1985, PHYS REV B, V32, P2096, DOI 10.1103/PhysRevB.32.2096 Van Hove M.A., 1979, SURFACE CRYSTALLOGRA XU ML, 1985, PHYS REV B, V31, P6332, DOI 10.1103/PhysRevB.31.6332Lo, WS Chien, TS Fang, BS Wei, CM Mei, WNWORLD SCIENTIFIC PUBL CO PTE LTDSINGAPORE

}, month = {Oct}, pages = {1035-1041}, type = {Article}, abstract = {

Photoelectron-diffraction studies of Nb(001) have been performed to determine the first-interlayer contraction using Mg K alpha radiation (h nu = 1253.6 eV) as an excitation source. Photoemission intensities of the 3d(5/2) core level were measured as a function of the polar angle along several azimuths on the single-crystal surface. The 202.3-eV (205.0-eV) binding energy for the 3d(5/2) (3d(3/2)) core level was well resolved in the photoemission spectra, where the peak intensity could be easily evaluated by curve-fitting processes. Large oscillations of the 3d(5/2) intensity as a function of the polar angle due to forward-focusing were observed. Based on multiple-scattering calculations for several first-interlayer spacings ranging from the bulk value to 16\% contraction, the best agreement with experiment was obtained for a (13 +/- 5)\% contraction of the first-interlayer spacing.

}, keywords = {AUGER-ELECTRON, ENERGIES, MULTILAYER RELAXATION, MULTIPLE, RECONSTRUCTION, SCATTERING, SURFACE CRYSTALLOGRAPHY, TA(100), TRANSITION-METALS, X-RAY PHOTOELECTRON}, isbn = {0218-625X}, url = {://WOS:000077249200013}, author = {Lo, W. S. and Chien, T. S. and Fang, B. S. and Wei, C. M. and Mei, W. N.} } @article {503, title = {Poisoning of hydrogen dissociation at Pd (100) by adsorbed sulfur studied by ab-initio quantum dynamics and ab-initio molecular dynamics}, journal = {Surface Science}, volume = {416}, number = {1-2}, year = {1998}, note = {

ISI Document Delivery No.: 135XNTimes Cited: 37Cited Reference Count: 18Cited References: BURKE ML, 1990, SURF SCI, V237, P1, DOI 10.1016/0039-6028(90)90515-A COMSA G, 1980, SURF SCI, V95, pL210, DOI 10.1016/0167-2584(80)90566-6 Darling GR, 1995, REP PROG PHYS, V58, P1595, DOI 10.1088/0034-4885/58/12/001 Gross A, 1998, PHYS REV B, V57, P2493, DOI 10.1103/PhysRevB.57.2493 GROSS A, 1995, PHYS REV LETT, V75, P2718, DOI 10.1103/PhysRevLett.75.2718 Gross A, 1997, J VAC SCI TECHNOL A, V15, P1624, DOI 10.1116/1.580643 Gross A, 1996, CHEM PHYS LETT, V256, P417, DOI 10.1016/0009-2614(96)00489-7 HAMMER B, 1994, PHYS REV LETT, V73, P1400, DOI 10.1103/PhysRevLett.73.1400 KARIKORPI M, 1987, SURF SCI, V179, pL41, DOI 10.1016/0039-6028(87)90111-7 KAY M, 1995, CHEM PHYS LETT, V245, P311, DOI 10.1016/0009-2614(95)00975-A PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 POLANYI JC, 1969, J CHEM PHYS, V51, P1439, DOI 10.1063/1.1672194 RENDULIC KD, 1989, SURF SCI, V208, P404, DOI 10.1016/0039-6028(89)90010-1 Wei CM, 1998, PHYS REV B, V57, P15572, DOI 10.1103/PhysRevB.57.15572 Wilke S, 1996, PHYS REV B, V53, P4926, DOI 10.1103/PhysRevB.53.4926 WILKE S, 1995, SURF SCI, V329, pL605, DOI 10.1016/0039-6028(95)00355-X Wilke S, 1996, PHYS REV LETT, V76, P3380, DOI 10.1103/PhysRevLett.76.3380 ZANGWILL A, 1988, PHYSICS SURFACES, P374Gross, A Wei, CM Scheffler, MELSEVIER SCIENCE BVAMSTERDAM

}, month = {Oct}, pages = {L1095-L1100}, type = {Letter}, abstract = {

We report calculations of the dissociative adsorption of H-2 at Pd (100) covered with 1/4 monolayer of sulfur using quantum dynamics as well as molecular dynamics and taking all six degrees of freedom of the two H atoms fully into account. The ab-initio potential-energy surface (PES) is found to be very strongly corrugated. In particular, we discuss the influence of tunneling, zero-point vibrations due to the localization of the wave function of the nuclei when narrow valleys of the PES are passed, steering of the approaching H-2 molecules towards low-energy barrier configurations, and the important role of subsurface absorbates for the hydrogen dissociation. It is shown that "established" concepts derived from low-dimensional dynamical studies are not necessarily valid in a high-dimensional treatment. (C) 1998 Elsevier Science B.V. All rights reserved.

}, keywords = {ADSORPTION, chemisorption, density functional calculations, DESORPTION, H-2 DISSOCIATION, hydrogen, models of, molecular dynamics, molecule-solid, palladium, PD(100), POTENTIAL-ENERGY SURFACE, quantum effects, reactions, sulfur, surface chemical reactions}, isbn = {0039-6028}, url = {://WOS:000076828200004}, author = {Gross, A. and Wei, C. M. and Scheffler, M.} } @article {505, title = {Ab initio calculation of the potential energy surface for the dissociation of H-2 on the sulfur-covered Pd(100) surface}, journal = {Physical Review B}, volume = {57}, number = {24}, year = {1998}, note = {

ISI Document Delivery No.: ZY631Times Cited: 38Cited Reference Count: 35Cited References: BEHM RJ, 1980, SURF SCI, V99, P320, DOI 10.1016/0039-6028(80)90396-9 BLAHA P, WIEN95 BURKE ML, 1990, SURF SCI, V237, P1, DOI 10.1016/0039-6028(90)90515-A COMSA G, 1980, SURF SCI, V95, pL210, DOI 10.1016/0167-2584(80)90566-6 DARLING GR, 1994, SURF SCI, V304, P6461 Eichler A, 1998, SURF SCI, V397, P116, DOI 10.1016/S0039-6028(97)00724-3 Eichler A, 1996, PHYS REV LETT, V77, P1119, DOI 10.1103/PhysRevLett.77.1119 FEIBELMAN PJ, 1985, SURF SCI, V149, P48, DOI 10.1016/S0039-6028(85)80012-1 FEIBELMAN PJ, 1991, PHYS REV LETT, V67, P461, DOI 10.1103/PhysRevLett.67.461 FEIBELMAN PJ, 1984, PHYS REV LETT, V52, P61, DOI 10.1103/PhysRevLett.52.61 GOODMAN DW, 1981, SURF SCI, V105, pL265, DOI 10.1016/0167-2584(81)90065-7 Gross A, 1998, PHYS REV B, V57, P2493, DOI 10.1103/PhysRevB.57.2493 GROSS A, 1995, J CHEM PHYS, V102, P5045, DOI 10.1063/1.469554 GROSS A, 1995, PHYS REV LETT, V75, P2718, DOI 10.1103/PhysRevLett.75.2718 GROSS AF, UNPUB Hammer B, 1995, SURF SCI, V343, P211, DOI 10.1016/0039-6028(96)80007-0 HAMMER B, 1995, PHYS REV LETT, V74, P3487, DOI 10.1103/PhysRevLett.74.3487 HAMMER B, 1993, SURF SCI, V297, pL68, DOI 10.1016/0039-6028(93)90007-7 HAMMER B, 1994, PHYS REV LETT, V73, P1400, DOI 10.1103/PhysRevLett.73.1400 JOHNSON S, 1981, SURF SCI, V108, P77, DOI 10.1016/0039-6028(81)90359-9 Kohler B, 1996, COMPUT PHYS COMMUN, V94, P31, DOI 10.1016/0010-4655(95)00139-5 LUNDQVIST BI, 1979, SURF SCI, V89, P196, DOI 10.1016/0039-6028(79)90608-3 MACLAREN JM, 1986, SURF SCI, V165, pL80, DOI 10.1016/0039-6028(86)90804-6 NORSKOV JK, 1981, PHYS REV LETT, V46, P257, DOI 10.1103/PhysRevLett.46.257 NORSKOV JK, 1993, CHEM PHYSICS SOLID S, V6, P1 NORSKOV JK, 1984, SURF SCI, V137, P65, DOI 10.1016/0039-6028(84)90676-9 PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671 RENDULIC KD, 1989, SURF SCI, V208, P404, DOI 10.1016/0039-6028(89)90010-1 White JA, 1996, PHYS REV B, V53, P1667, DOI 10.1103/PhysRevB.53.1667 WHITE JA, 1994, PHYS REV LETT, V73, P1404, DOI 10.1103/PhysRevLett.73.1404 Wilke S, 1996, PHYS REV B, V53, P4926, DOI 10.1103/PhysRevB.53.4926 WILKE S, 1995, SURF SCI, V329, pL605, DOI 10.1016/0039-6028(95)00355-X Wilke S, 1996, PHYS REV LETT, V77, P1560, DOI 10.1103/PhysRevLett.77.1560 Wilke S, 1996, PHYS REV LETT, V76, P3380, DOI 10.1103/PhysRevLett.76.3380 WILKE S, UNPUBWei, CM Gross, A Scheffler, MAMER PHYSICAL SOCCOLLEGE PK

}, month = {Jun}, pages = {15572-15584}, type = {Article}, abstract = {

The presence of sulfur atoms on the Pd(100) surface is known to hinder the dissociative adsorption of hydrogen. Using density-functional theory and the full-potential linear augmented plane-wave method, we investigate the potential energy surface (PES) of the dissociative adsorption of H-2 On the sulfur covered Pd(100) surface. The PES is changed significantly compared to the dissociation on the clean Pd(100) surface, particularly for hydrogen close to the S atoms. While the hydrogen dissociation at the clean Pd(100) surface is nonactivated, for the (2 x 2) sulfur adlayer (coverage Theta (S) = 0.25) the dissociation of H-2 is inhibited by energy barriers. Their heights strongly depend on the distance between the hydrogen and sulfur atoms leading to a highly corrugated PES. The largest barriers are in the vicinity of the sulfur atoms due to the strong repulsion between sulfur and hydrogen. Still the hydrogen dissociation on the (2x2) sulfur covered Pd(100) surface is exothermic. Thus the poisoning effect of sulfur adatoms for H-2 dissociation at low sulfur coverage (Theta(S) less than or equal to 0.25) is mainly governed by the formation of energy barriers, not by blocking of the adsorption sites. For the c(2 x 2) sulfur adlayer (Theta(S)= 0.5), the PES for hydrogen dissociation is purely repulsive. This is due to the fact that for all different possible adsorption geometries the hydrogen molecules come too close.to the sulfur adatoms before the dissociation is completed.

}, keywords = {ADSORPTION, CORRUGATION, DESORPTION, ELECTRONIC-STRUCTURE, hydrogen, MOLECULES, NI(100), QUANTUM DYNAMICS, RANGE, REACTIVITY}, isbn = {1098-0121}, url = {://WOS:000074643000074}, author = {Wei, C. M. and Gross, A. and Scheffler, M.} } @article {502, title = {Holography with Kikuchi electrons: Direct imaging of ordered trimers on Au/Si(111)(root 3x root 3)R30 degrees and Sb/Si(111)(root 3x root 3)R30 degrees interfaces}, journal = {Surface Review and Letters}, volume = {4}, number = {4}, year = {1997}, note = {

ISI Document Delivery No.: YJ071Times Cited: 9Cited Reference Count: 45Cited References: ABUKAWA T, 1988, SURF SCI, V201, pL513, DOI 10.1016/0039-6028(88)90490-6 BAHR CC, 1987, PHYS REV B, V35, P3773, DOI 10.1103/PhysRevB.35.3773 BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BUREGER MJ, 1959, VECTOR SPACE ITS APP CHEN SD, 1994, THESIS TSING HUA U Chen X, 1996, SURF SCI, V356, P28, DOI 10.1016/0039-6028(96)00036-2 CHESTER M, 1991, SURF SCI, V256, P135, DOI 10.1016/0039-6028(91)91209-G DING YG, 1992, SURF SCI, V275, pL691, DOI 10.1016/0039-6028(92)90785-5 DORNISCH D, 1991, PHYS REV B, V44, P11221, DOI 10.1103/PhysRevB.44.11221 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 Hong IH, 1996, PHYS REV B, V54, P5178, DOI 10.1103/PhysRevB.54.5178 Hong IH, 1996, PHYS REV B, V54, P4762, DOI 10.1103/PhysRevB.54.4762 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 Hong IH, 1995, PHYS REV B, V52, P16884, DOI 10.1103/PhysRevB.52.16884 JENG PR, 1995, PHYS REV B, V51, P13645, DOI 10.1103/PhysRevB.51.13645 Len PM, 1996, SURF SCI, V365, P535, DOI 10.1016/0039-6028(96)00719-4 LI H, 1993, SURF SCI, V282, P380 MARTENSSON P, 1990, PHYS REV B, V42, P7230, DOI 10.1103/PhysRevB.42.7230 Nakatani S, 1996, SURF SCI, V357, P65, DOI 10.1016/0039-6028(96)00059-3 NAKATANI S, 1992, JPN J APPL PHYS 2, V31, pL426, DOI 10.1143/JJAP.31.L426 NOGAMI J, 1994, SURF REV LETT, V1, P395, DOI 10.1142/S0218625X94000369 OVER H, 1993, PHYS REV B, V48, P15353, DOI 10.1103/PhysRevB.48.15353 PETERSEN BL, 1994, CHEM PHYS LETT, V220, P46, DOI 10.1016/0009-2614(94)00122-7 QUINN J, 1992, PHYS REV B, V46, P7288, DOI 10.1103/PhysRevB.46.7288 Roesler JM, 1996, SURF SCI, V348, P161, DOI 10.1016/0039-6028(95)01012-2 SIEGER MT, 1994, PHYS REV LETT, V73, P3117, DOI 10.1103/PhysRevLett.73.3117 SZOKE A, 1986, AIP C P, V147 TERMINELLO LJ, 1993, PHYS REV LETT, V70, P599, DOI 10.1103/PhysRevLett.70.599 THEVUTHASAN S, 1993, PHYS REV LETT, V70, P595, DOI 10.1103/PhysRevLett.70.595 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1992, PHYS REV LETT, V69, P3654, DOI 10.1103/PhysRevLett.69.3654 TONG SY, 1994, SURF REV LETT, V1, P303, DOI 10.1142/S0218625X9400031X TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WEI CM, 1994, CHEM PHYS LETT, V288, P513 WEI CM, 1994, PHYS REV LETT, V72, P2434, DOI 10.1103/PhysRevLett.72.2434 WOICIK JC, 1991, PHYS REV B, V44, P3475, DOI 10.1103/PhysRevB.44.3475 WU H, 1993, PHYS REV LETT, V71, P251, DOI 10.1103/PhysRevLett.71.251 WU HS, 1995, PHYS REV B, V51, P14549, DOI 10.1103/PhysRevB.51.14549 ZHARNIKOV M, 1994, PHYS REV LETT, V73, P3548, DOI 10.1103/PhysRevLett.73.3548 ZHARNIKOV M, 1995, SURF SCI, V334, P114, DOI 10.1016/0039-6028(95)00465-3Hong, IH Jih, MC Chou, YC Wei, CMWORLD SCIENTIFIC PUBL CO PTE LTDSINGAPORE

}, month = {Aug}, pages = {733-756}, type = {Review}, abstract = {

The structural bases on the metal/semiconductor interfaces, such as gold trimers on the Au/Si (111)(root 3 x root 3)R30 degrees surface and antimony trimers on the Sb/Si(111)(root 3 x root 3)R30 degrees surface, can be imaged directly with a simple inversion of low-energy (\<600 eV) Kikuchi-electron patterns (Kikuchi-electron holography-KEH). The relative positions of the building blocks (trimers) on the adsorbates to the substrate atoms are also determined. This short-range-order KEH tool, which provides the 3D Patterson function, can be viewed as a twin of grazing-incidence X-ray diffraction. Using direct structural information obtained by KEH, one can greatly reduce the tested models in a complete trial-and-error structural-determination process.

}, keywords = {ATOMIC-STRUCTURE, EMISSION HOLOGRAPHY, FINE-STRUCTURE, LOW-ENERGY-ELECTRON, PHOTOELECTRON DIFFRACTION PATTERNS, PHOTOEMISSION, RECONSTRUCTION, SQUARE-ROOT-3-SB, SURFACE-DIMER, X-RAY-DIFFRACTION}, isbn = {0218-625X}, url = {://WOS:A1997YJ07100016}, author = {Hong, I. H. and Jih, M. C. and Chou, Y. C. and Wei, C. M.} } @article {499, title = {Modeling of Ir adatoms on Ir surfaces}, journal = {Physical Review B}, volume = {54}, number = {23}, year = {1996}, note = {

ISI Document Delivery No.: WA833Times Cited: 29Cited Reference Count: 69Cited References: ADAMS JB, 1989, J MATER RES, V4, P102, DOI 10.1557/JMR.1989.0102 AYRAULT G, 1974, J CHEM PHYS, V60, P281, DOI 10.1063/1.1680781 BASSETT DW, 1978, SURF SCI, V70, P520, DOI 10.1016/0039-6028(78)90429-6 Bassett D.W., 1969, British Journal of Applied Physics (Journal of Physics D), V2 BASSETT DW, 1976, J PHYS C SOLID STATE, V9, P2491, DOI 10.1088/0022-3719/9/13/009 CAMPBELL GH, 1993, PHYS REV LETT, V70, P449, DOI 10.1103/PhysRevLett.70.449 CHEN C, 1991, PHYS REV LETT, V66, P1610, DOI 10.1103/PhysRevLett.66.1610 CHEN CL, 1990, PHYS REV B, V41, P12403, DOI 10.1103/PhysRevB.41.12403 CHEN CL, 1990, PHYS REV LETT, V64, P3147, DOI 10.1103/PhysRevLett.64.3147 CHEN CL, 1990, APPL PHYS A-MATER, V51, P405, DOI 10.1007/BF00348381 CHEN SP, 1991, SURF SCI, V244, pL107, DOI 10.1016/0039-6028(91)90162-L CHEN SP, 1989, J MATER RES, V4, P62, DOI 10.1557/JMR.1989.0062 CHEN SP, 1986, PHYS REV LETT, V57, P1308, DOI 10.1103/PhysRevLett.57.1308 CHEN SP, 1990, J MATER RES, V5, P955, DOI 10.1557/JMR.1990.0955 CHEN SP, 1992, PHILOS MAG A, V66, P1 CHEN SP, 1992, SURF SCI, V274, pL619, DOI 10.1016/0039-6028(92)90835-T CHEN SP, 1992, SURF SCI, V264, pL162, DOI 10.1016/0039-6028(92)90148-Y COWAN P, 1975, PHYS LETT A, V53, P383, DOI 10.1016/0375-9601(75)90040-7 DAW MS, 1985, SOLID STATE COMMUN, V56, P697, DOI 10.1016/0038-1098(85)90781-1 DAW MS, 1983, PHYS REV LETT, V50, P1285, DOI 10.1103/PhysRevLett.50.1285 DAW MS, 1984, PHYS REV B, V29, P6443, DOI 10.1103/PhysRevB.29.6443 DHANAK VR, 1990, SURF SCI, V238, P289, DOI 10.1016/0039-6028(90)90087-O DOLL JD, 1982, J CHEM PHYS, V77, P479, DOI 10.1063/1.443630 EHRLICH G, 1991, SURF SCI, V246, P1, DOI 10.1016/0039-6028(91)90385-6 EHRLICH G, 1966, J CHEM PHYS, V44, P1039, DOI 10.1063/1.1726787 EHRLICH G, 1994, SURF SCI, V299, P628, DOI 10.1016/0039-6028(94)90685-8 EINSTEIN TL, 1990, SURF SCI, V227, P114, DOI 10.1016/0039-6028(90)90398-R EINSTEIN TL, 1991, LANGMUIR, V7, P2520, DOI 10.1021/la00059a021 EINSTEIN TL, 1995, PHYSICAL STRUCTURE S, pCH11 FEIBELMAN PJ, 1994, PHYS REV B, V49, P10548, DOI 10.1103/PhysRevB.49.10548 FEIBELMAN PJ, 1990, PHYS REV LETT, V65, P729, DOI 10.1103/PhysRevLett.65.729 FLYNN CP, 1972, POINT DEFECTS DIFFUS, pCH7 FOILES SM, 1985, PHYS REV B, V32, P3409, DOI 10.1103/PhysRevB.32.3409 FOILES SM, 1986, PHYS REV B, V33, P7983, DOI 10.1103/PhysRevB.33.7983 GRAHAM WR, 1974, SURF SCI, V45, P530, DOI 10.1016/0039-6028(74)90187-3 GRAVIL PA, 1994, SURF SCI, V310, P267, DOI 10.1016/0039-6028(94)91390-0 HAMILTON JC, 1995, PHYS REV LETT, V74, P2760, DOI 10.1103/PhysRevLett.74.2760 KARIMI M, 1992, PHYS REV B, V45, P6289, DOI 10.1103/PhysRevB.45.6289 KELLOGG GL, 1990, PHYS REV LETT, V64, P3143, DOI 10.1103/PhysRevLett.64.3143 LIU CL, 1991, SURF SCI, V253, P334, DOI 10.1016/0039-6028(91)90604-Q LIU CL, 1992, SURF SCI, V265, P262, DOI 10.1016/0039-6028(92)90506-2 LYNDENBELL RM, 1991, SURF SCI, V259, P129, DOI 10.1016/0039-6028(91)90531-V MCDOWELL HK, 1983, J CHEM PHYS, V78, P3219, DOI 10.1063/1.445238 Muller E. W., 1969, FIELD ION MICROSCOPY NELSON JS, 1989, PHYS REV B, V40, P1465, DOI 10.1103/PhysRevB.40.1465 NELSON JS, 1988, PHYS REV LETT, V61, P1977, DOI 10.1103/PhysRevLett.61.1977 NELSON RC, 1993, SURF SCI, V295, P462, DOI 10.1016/0039-6028(93)90293-S PARK SC, 1984, J CHEM PHYS, V80, P2191, DOI 10.1063/1.446907 RILLING WK, 1990, CAN J PHYS, V68, P1035 ROELOFS LD, 1991, STRUCTURE SURFACES, V3, P248 ROSE JH, 1984, PHYS REV B, V29, P2963, DOI 10.1103/PhysRevB.29.2963 SCHWOEBEL PR, 1988, PHYS REV B, V38, P5326, DOI 10.1103/PhysRevB.38.5326 TIAN ZJ, 1993, PHYS REV B, V47, P9751, DOI 10.1103/PhysRevB.47.9751 TSONG TT, 1991, PHYS REV B, V43, P2007, DOI 10.1103/PhysRevB.43.2007 TSONG TT, 1991, SURF SCI, V246, P13, DOI 10.1016/0039-6028(91)90386-7 TSONG TT, 1992, CCAST WL SW, V9, P75 TSONG TT, 1975, THIN SOLID FILMS, V25, P97, DOI 10.1016/0040-6090(75)90250-3 TULLY JC, 1979, J CHEM PHYS, V71, P1630, DOI 10.1063/1.438490 TUNG R, 1980, THESIS U PENNSYLVANI TUNG RT, 1980, SURF SCI, V97, P73, DOI 10.1016/0039-6028(80)90104-1 Voter AF, 1987, MATER RES SOC S P, V82, P175 WANG SC, 1990, SURF SCI, V239, P301, DOI 10.1016/0039-6028(90)90232-W WANG SC, 1991, SURF SCI, V246, P37, DOI 10.1016/0039-6028(91)90389-A WILSON WD, 1981, PHYS REV B, V24, P5616, DOI 10.1103/PhysRevB.24.5616 WRIGLEY JD, 1980, PHYS REV LETT, V44, P661, DOI 10.1103/PhysRevLett.44.661 XU W, 1994, SURF SCI, V301, P371, DOI 10.1016/0039-6028(94)91317-X XU W, 1994, SURF SCI, V319, P45, DOI 10.1016/0039-6028(94)90568-1 YANG LQ, 1991, PHYS REV B, V44, P13725, DOI 10.1103/PhysRevB.44.13725 ZANGWILL A, 1988, PHYSICS SURFACESChang, CM Wei, CM Chen, SPAMER PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {17083-17096}, type = {Article}, abstract = {

We used the embedded-atom method potential to study the structures, adsorption energies, binding energies, migration paths, and energy barriers of the Ir adatom and small clusters on fcc Ir (100), (110), and (111) surfaces. We found that the barrier for single-adatom diffusion is lowest on the (111) surface, higher on the (110) surface, and highest on the (100) surface. The exchange mechanisms of adatom diffusion on (100) and (110) surfaces are energetically favored. On all three Ir surfaces, Ir-2 dimers with nearest-neighbor spacing are the most stable. On the (110) surface, the Ir-2 dimer diffuses collectively along the (110) channel, while motion perpendicular to the channel walls is achieved by successive one-atom and correlated jumps. On (111) surface, the Ir-2 dimer diffuses in a zigzag motion on hcp and fee sites without breaking into two single atoms. On the (100) surface, diffusion of the Ir-2 dimer is achieved by successive one-atom exchange with the substrate atom accompanying by a 90 degrees rotation of the Ir-2 dimer. This mechanism has a surprisingly low activation energy of 0.65 eV, which is 0.14 eV lower than the energy for single adatom exchange on the (100) surface. Trimers were found to have a one-dimensional (1D) structure on (100) and (110) surfaces, and a 2D structure on the (111) surface. The observed abrupt drop of the diffusion barrier of tetramer, I-gamma 4 on the Ir (111) surface was confirmed theoretically.

}, keywords = {BINDING-SITES, EMBEDDED-ATOM-METHOD, EXCHANGE MECHANISM, FCC METALS, GRAIN-BOUNDARIES, IR(110), MOLECULAR-DYNAMICS, SELF-DIFFUSION, SINGLE ADATOMS, SURFACES, TRANSITION-METALS}, isbn = {1098-0121}, url = {://WOS:A1996WA83300113}, author = {Chang, C. M. and Wei, C. M. and Chen, S. P.} } @article {500, title = {Direct observation of ordered trimers on Si(111)root 3x root 3R30 degrees-Au by scanned-energy glancing-angle Kikuchi electron wave-front reconstruction}, journal = {Physical Review B}, volume = {54}, number = {7}, year = {1996}, note = {

ISI Document Delivery No.: VE488Times Cited: 20Cited Reference Count: 27Cited References: CHESTER M, 1991, SURF SCI, V256, P135, DOI 10.1016/0039-6028(91)91209-G DING YG, 1991, PHYS REV LETT, V67, P1454, DOI 10.1103/PhysRevLett.67.1454 DING YG, 1992, SURF SCI, V275, pL691, DOI 10.1016/0039-6028(92)90785-5 DORNISCH D, 1991, PHYS REV B, V44, P11221, DOI 10.1103/PhysRevB.44.11221 HASEGAWA T, 1990, J VAC SCI TECHNOL A, V8, P241, DOI 10.1116/1.577075 HIGASHIYAMA K, 1986, JPN J APPL PHYS 2, V25, pL117, DOI 10.1143/JJAP.25.L117 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 ICHIMIYA A, 1989, APPL SURF SCI, V41-2, P82, DOI 10.1016/0169-4332(89)90037-8 NOGAMI J, 1994, SURF REV LETT, V1, P395, DOI 10.1142/S0218625X94000369 NOGAMI J, 1990, PHYS REV LETT, V65, P1611, DOI 10.1103/PhysRevLett.65.1611 OVER H, 1993, PHYS REV B, V48, P15353, DOI 10.1103/PhysRevB.48.15353 QUINN J, 1992, PHYS REV B, V46, P7288, DOI 10.1103/PhysRevB.46.7288 SALVAN F, 1985, SURF SCI, V162, P634, DOI 10.1016/0039-6028(85)90959-8 TAKAHASHI T, 1988, JPN J APPL PHYS 2, V27, pL753, DOI 10.1143/JJAP.27.L753 TAKAMI T, IN PRESS JPN J APPL TOBIN JG, 1993, PHYS REV LETT, V70, P4150, DOI 10.1103/PhysRevLett.70.4150 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1994, SURF REV LETT, V1, P303, DOI 10.1142/S0218625X9400031X VLIEG E, 1991, PHYS REV B, V43, P7185, DOI 10.1103/PhysRevB.43.7185 WAN KJ, 1992, PHYS REV B, V45, P9509, DOI 10.1103/PhysRevB.45.9509 WATANABE S, 1991, PHYS REV B, V44, P8330, DOI 10.1103/PhysRevB.44.8330 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WEI CM, 1994, CHEM PHYS LETT, V228, P513, DOI 10.1016/0009-2614(94)00980-5 WU H, 1993, PHYS REV LETT, V71, P251, DOI 10.1103/PhysRevLett.71.251Hong, IH Liao, DK Chou, YC Wei, CM Tong, SYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Aug}, pages = {4762-4765}, type = {Article}, abstract = {

We report the first atomically resolved images of ordered Au trimers on Si(111)root 3X root 3R30 degrees-Au using wave-front reconstruction of scanned-energy glancing-angle Kikuchi electron spectra. Each Au image has a resolution (full width at half magnitude) of less than 1 Angstrom. The images indicate that Au trimers art ordered and nonrotated within the surface plane and with respect to the second-layer Si plane providing direct evidence of the conjugate honeycomb-chained-trimer model for the Au-root 3 system.

}, keywords = {ATOMIC-STRUCTURE, AU/SI(111), HOLOGRAPHY, IMAGES, LEED, SURFACE, TUNNELING-MICROSCOPY, X-RAY-DIFFRACTION}, isbn = {0163-1829}, url = {://WOS:A1996VE48800064}, author = {Hong, I. H. and Liao, D. K. and Chou, Y. C. and Wei, C. M. and Tong, S. Y.} } @article {501, title = {Surface-dimer and bulk-atom imaging of the Si(001)(2x1) surface by Kikuchi electron holography (vol 52, pg 16884, 1995)}, journal = {Physical Review B}, volume = {54}, number = {7}, year = {1996}, note = {

ISI Document Delivery No.: VE488Times Cited: 1Cited Reference Count: 1Cited References: Hong IH, 1995, PHYS REV B, V52, P16884, DOI 10.1103/PhysRevB.52.16884Hong, IH Shyu, SC Chou, YC Wei, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Aug}, pages = {5178-5178}, type = {Correction, Addition}, abstract = {

n/a

}, isbn = {0163-1829}, url = {://WOS:A1996VE48800110}, author = {Hong, I. H. and Shyu, S. C. and Chou, Y. C. and Wei, C. M.} } @article {497, title = {FRACTAL DISSOCIATION DYNAMICS OF DIATOMIC IONS IN A DC FIELD}, journal = {Physica A}, volume = {221}, number = {1-3}, year = {1995}, note = {

ISI Document Delivery No.: TG785Times Cited: 2Cited Reference Count: 9Cited References: CHIRIKOV BV, 1979, PHYS REP, V52, P263, DOI 10.1016/0370-1573(79)90023-1 HEAGY JF, 1992, QUANTUM NONINTEGRABI, P322 HISKES JR, 1961, PHYS REV, V122, P1207, DOI 10.1103/PhysRev.122.1207 MISKOVSKY NM, 1988, PHYS REV B, V38, P11188, DOI 10.1103/PhysRevB.38.11188 TSONG TT, 1985, PHYS REV LETT, V55, P2826, DOI 10.1103/PhysRevLett.55.2826 TSONG TT, 1985, PHYS REV B, V35, P66 TSONG TT, 1985, PHYS REV LETT, V55, P2180, DOI 10.1103/PhysRevLett.55.2180 YUAN JM, 1994, PROG THEOR PHYS S, V116, P425, DOI 10.1143/PTPS.116.425 YUAN JM, 1995, J CHEM PHYS, V102, P170, DOI 10.1063/1.469388WEI, CM YUAN, JM TSONG, TT2nd IUPAP Topical Conference/3rd Taipei International Symposium on Statistical Physics - Nonlinear and Random Processes (StatPhys-Taipei-1995)JUL 18-24, 1995TAIPEI, TAIWANIUPAPELSEVIER SCIENCE BVAMSTERDAM

}, month = {Nov}, pages = {297-313}, type = {Article; Proceedings Paper}, abstract = {

Following our previous work, we carry out a more detailed study of dissociation dynamics of diatomic ions field-evaporated from a metallic tip of field-ion microscopy, We have found that the partial fractal behavior of the dissociation probability near threshold field strength and the multiple peaks in the time-of-flight spectrum can be attributed to different combinations of vibrational and rotational cycles before ions dissociate, But more clear revelation of the origin of the fractal behavior comes from investigating the uniform-field limit, where we show that two types of chaos exist, one is associated with the rotational saddle orbit and the other associated with the moving potential barrier of a DC field-distorted anharmonic oscillator, The homoclinic tangles associated with these saddles give rise to the sensitive dependence of dynamics on initial conditions.

}, isbn = {0378-4371}, url = {://WOS:A1995TG78500031}, author = {Wei, C. M. and Yuan, J. M. and Tsong, T. T.} } @article {496, title = {DIRECT ATOMIC IMAGING OF AG(100) AND AG(111) BY INVERTING QUASI-ELASTICALLY SCATTERED ELECTRON-DIFFRACTION PATTERNS}, journal = {Physical Review B}, volume = {51}, number = {19}, year = {1995}, note = {

ISI Document Delivery No.: QZ165Times Cited: 14Cited Reference Count: 27Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1992, PHYS REV LETT, V67, P3106 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HARP GR, 1990, PHYS REV B, V42, P9199, DOI 10.1103/PhysRevB.42.9199 HOFMANN P, 1994, J VAC SCI TECHNOL A, V12, P2045, DOI 10.1116/1.579134 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 HONG IH, UNPUB HU P, 1992, PHYS REV B, V46, P13615, DOI 10.1103/PhysRevB.46.13615 HU PJ, 1991, NATURE, V353, P831, DOI 10.1038/353831a0 HUSSAIN Z, 1981, P NATL ACAD SCI USA, V78, P5293, DOI 10.1073/pnas.78.9.5293 LI H, 1993, SURF SCI, V282, P380 MENDEZ MA, 1992, PHYS REV B, V45, P9402, DOI 10.1103/PhysRevB.45.9402 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 SALDIN DK, 1993, PHYS REV B, V48, P8234, DOI 10.1103/PhysRevB.48.8234 TERMINELLO LJ, 1993, PHYS REV LETT, V70, P599, DOI 10.1103/PhysRevLett.70.599 THEVUTHASAN S, 1993, PHYS REV LETT, V70, P595, DOI 10.1103/PhysRevLett.70.595 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1992, PHYS REV LETT, V67, P3102 TONNER BP, 1991, PHYS REV B, V43, P1442 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WEI CM, 1994, CHEM PHYS LETT, V228, P513, DOI 10.1016/0009-2614(94)00980-5 WU H, 1993, PHYS REV LETT, V71, P251, DOI 10.1103/PhysRevLett.71.251 ZHAO H, 1994, SURF SCI, V315, pL1007JENG, PR HONG, IH CHOU, YC WEI, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {May}, pages = {13645-13652}, type = {Article}, abstract = {

n/a

}, keywords = {AUGER, FORWARD-SCATTERING, HOLOGRAPHIC IMAGES, LEED, PHOTOELECTRON DIFFRACTION, PHOTOEMISSION, RESOLUTION, SPECTROSCOPIES, SURFACE}, isbn = {0163-1829}, url = {://WOS:A1995QZ16500080}, author = {Jeng, P. R. and Hong, I. H. and Chou, Y. C. and Wei, C. M.} } @article {498, title = {DISSOCIATION DYNAMICS OF A FIELD-EVAPORATED DIATOMIC ION - ROVIBRATIONAL COUPLING, ISOTOPE EFFECTS, AND FRACTAL FIELD THRESHOLDS}, journal = {Journal of Chemical Physics}, volume = {102}, number = {1}, year = {1995}, note = {

ISI Document Delivery No.: PZ714Times Cited: 3Cited Reference Count: 9Cited References: BLUMEL R, 1992, QUANTUM NONINTEGRABI, V4, P397 HISKES JR, 1961, PHYS REV, V122, P1207, DOI 10.1103/PhysRev.122.1207 LU ZM, 1991, PHYS REV A, V45, P1188 MISKOVSKY NM, 1988, PHYS REV B, V38, P11188, DOI 10.1103/PhysRevB.38.11188 TSONG TT, 1985, PHYS REV LETT, V55, P2826, DOI 10.1103/PhysRevLett.55.2826 TSONG TT, 1993, PHYS TODAY 0524 TSONG TT, 1985, PHYS REV B, V35, P66 TSONG TT, 1985, PHYS REV LETT, V55, P2180, DOI 10.1103/PhysRevLett.55.2180 WEI CH, IN PRESSYUAN, JM WEI, CM TSONG, TTAMER INST PHYSICSWOODBURY

}, month = {Jan}, pages = {170-179}, type = {Article}, abstract = {

n/a

}, isbn = {0021-9606}, url = {://WOS:A1995PZ71400019}, author = {Yuan, J. M. and Wei, C. M. and Tsong, T. T.} } @article {495, title = {Surface-dimer and bulk-atom imaging of the Si(001) (2x1) surface by Kikuchi electron holography}, journal = {Physical Review B}, volume = {52}, number = {23}, year = {1995}, note = {

ISI Document Delivery No.: TN309Times Cited: 7Cited Reference Count: 25Cited References: ABRAHAM FF, 1985, SURF SCI, V163, pL752, DOI 10.1016/0039-6028(85)91055-6 ASCOLANI H, 1992, PHYS REV B, V46, P4899, DOI 10.1103/PhysRevB.46.4899 BAHR CC, 1987, PHYS REV B, V35, P3773, DOI 10.1103/PhysRevB.35.3773 BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 HOUDRE R, 1990, CRIT REV SOLID STATE, V162, P91 HU PJ, 1991, NATURE, V353, P831, DOI 10.1038/353831a0 HUSSAIN Z, 1981, P NATL ACAD SCI USA, V78, P5293, DOI 10.1073/pnas.78.9.5293 JENG PR, 1995, PHYS REV B, V51, P13645, DOI 10.1103/PhysRevB.51.13645 JONA F, 1977, J PHYS C SOLID STATE, V10, pL67, DOI 10.1088/0022-3719/10/4/003 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 POPPENDIECK TD, 1978, SURF SCI, V75, P287, DOI 10.1016/0039-6028(78)90253-4 SALDIN DK, 1993, PHYS REV B, V48, P8234, DOI 10.1103/PhysRevB.48.8234 SZOKE A, 1986, AIP C P, V147 TERMINELLO LJ, 1993, PHYS REV LETT, V70, P599, DOI 10.1103/PhysRevLett.70.599 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 TROMP RM, 1983, SURF SCI, V133, P137, DOI 10.1016/0039-6028(83)90488-0 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURF REV LETT, V1, P335, DOI 10.1142/S0218625X94000333 WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WEI CM, 1994, CHEM PHYS LETT, V228, P513, DOI 10.1016/0009-2614(94)00980-5 WEI CM, 1994, PHYS REV LETT, V72, P2434, DOI 10.1103/PhysRevLett.72.2434 WU H, 1993, PHYS REV LETT, V71, P251, DOI 10.1103/PhysRevLett.71.251 ZHAO RG, 1991, STRUCTURE SURFACES, V3, P517Hong, IH Shyu, SC Chou, YC Wei, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {16884-16891}, type = {Article}, abstract = {

Direct inversion of measured multiple-energy Kikuchi electron patterns from a Si(001) (2 x 1) surface with glancing and normal-incidence geometry shows clear images of the surface dimer and the bulk atoms. The three-dimensional artifact-free real-space images of the atoms contributed from different local emitters are resolved clearly. The observations demonstrate that Kikuchi electron holography has the surface sensitivity and can reveal the atomic structures of complicated multiemitter systems. By changing the collecting angle of Kikuchi electrons, one can selectively image the atoms behind the emitter in the backward direction; thus the surface and the bulk information can be obtained with different collecting angles. Therefore, the potential of Kikuchi electron holography to solve the local atomic structure of the unknown surfaces is high.

}, keywords = {IMAGES, PATTERNS, PHOTOELECTRON DIFFRACTION}, isbn = {0163-1829}, url = {://WOS:A1995TN30900083}, author = {Hong, I. H. and Shyu, S. C. and Chou, Y. C. and Wei, C. M.} } @article {491, title = {ELECTRON-EMISSION HOLOGRAPHY - A NEW DIRECT METHOD FAR SURFACE STRUCTURAL DETERMINATION}, journal = {Chemical Physics Letters}, volume = {228}, number = {6}, year = {1994}, note = {

ISI Document Delivery No.: PL261Times Cited: 11Cited Reference Count: 31Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BARTON JJ, 1991, STRUCTURE SURFACES, V3 CHAMBERS SA, 1992, J VAC SCI TECHNOL B, V10, P2092, DOI 10.1116/1.586324 DIPPEL R, 1992, PHYS REV LETT, V68, P1543, DOI 10.1103/PhysRevLett.68.1543 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HARP GR, 1990, PHYS REV B, V42, P9199, DOI 10.1103/PhysRevB.42.9199 HONG IH, 1994, SURF SCI, V312, pL743, DOI 10.1016/0039-6028(94)90794-3 HU P, 1992, PHYS REV B, V46, P13615, DOI 10.1103/PhysRevB.46.13615 HU P, 1992, NATURE, V360, P656 HUSSAIN Z, 1981, P NATL ACAD SCI USA, V78, P5293, DOI 10.1073/pnas.78.9.5293 LI H, 1993, PHYS REV B, V47, P10036, DOI 10.1103/PhysRevB.47.10036 MENDEZ MA, 1992, PHYS REV B, V45, P9402, DOI 10.1103/PhysRevB.45.9402 ORDERS PJ, 1983, PHYS REV B, V27, P781, DOI 10.1103/PhysRevB.27.781 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 SALDIN DK, 1993, PHYS REV LETT, V70, P1112, DOI 10.1103/PhysRevLett.70.1112 SZOKE A, 1986, AIP C P, V147 TERMINELLO LJ, 1993, PHYS REV LETT, V70, P599, DOI 10.1103/PhysRevLett.70.599 THEVUTHASAN S, 1993, PHYS REV LETT, V70, P595, DOI 10.1103/PhysRevLett.70.595 TOBIN JG, 1993, PHYS REV LETT, V70, P4150, DOI 10.1103/PhysRevLett.70.4150 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1992, PHYS REV LETT, V69, P3654, DOI 10.1103/PhysRevLett.69.3654 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 TONNER BP, 1991, PHYS REV B, V43, P14423, DOI 10.1103/PhysRevB.43.14423 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, 1994, SURFACE REV LETT, V1 WEI CM, 1990, PHYS REV B, V42, P11284, DOI 10.1103/PhysRevB.42.11284 WEI CM, 1994, PHYS REV B, V49, P5109, DOI 10.1103/PhysRevB.49.5109 WU H, 1993, PHYS REV LETT, V71, P251, DOI 10.1103/PhysRevLett.71.251WEI, CM HONG, IH JENG, PR SHYU, SC CHOU, YCELSEVIER SCIENCE BVAMSTERDAM

}, month = {Oct}, pages = {513-518}, type = {Article}, abstract = {

Direct inversion of measured Kikuchi and simulated photoelectron diffraction patterns shows clear images of the neighboring atoms within the range of the electron mean free path. More than ten nearby atoms are obtained for the Ag(100), Si(100) and (2X1) Na/Si(100) systems by the integral-energy phase-summing method. The key point in removing artifacts is a correct role of background subtraction. When this is achieved, the three-dimensional images are essentially high fidelity and artifact free. This demonstrates that electron-emission holography can be used as a direct local structural probe.

}, keywords = {AUGER, DIRECT ATOMIC-STRUCTURE, FORWARD-SCATTERING, IMAGES, LOW-ENERGY-ELECTRON, MULTIPLE-SCATTERING, PHOTOELECTRON DIFFRACTION, PHOTOEMISSION, RECONSTRUCTION, SPECTROSCOPIES}, isbn = {0009-2614}, url = {://WOS:A1994PL26100003}, author = {Wei, C. M. and Hong, I. H. and Jeng, P. R. and Shyu, S. C. and Chou, Y. C.} } @article {488, title = {THEORETICAL THRESHOLD CROSS-SECTION OF ELECTRON-IMPACT IONIZATION OF THE HYDROGEN-ATOM}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {27}, number = {19}, year = {1994}, note = {

ISI Document Delivery No.: PN011Times Cited: 8Cited Reference Count: 27Cited References: CHANG JC, 1988, 1ST AS PAC C AT MOL CHANG JC, 1988, THESIS NATIONAL TAIW CROTHERS DSF, 1986, J PHYS B-AT MOL OPT, V19, P463, DOI 10.1088/0022-3700/19/4/013 CROWE DM, 1990, J PHYS B-AT MOL OPT, V23, pL325, DOI 10.1088/0953-4075/23/13/010 CVEJANOV.S, 1974, J PHYS B-AT MOL OPT, V7, P1841, DOI 10.1088/0022-3700/7/14/008 DONAHUE JB, 1984, PHYS REV LETT, V52, P164, DOI 10.1103/PhysRevLett.52.164 DONAHUE JB, 1982, PHYS REV LETT, V48, P1538, DOI 10.1103/PhysRevLett.48.1538 FRIEDMAN JR, 1992, PHYS REV A, V46, P652, DOI 10.1103/PhysRevA.46.652 GREENE CH, 1982, PHYS REV LETT, V48, P533, DOI 10.1103/PhysRevLett.48.533 GREENE CH, 1983, J PHYS B-AT MOL OPT, V16, P99, DOI 10.1088/0022-3700/16/1/011 GUO XQ, 1990, PHYS REV LETT, V65, P1857, DOI 10.1103/PhysRevLett.65.1857 HUANG KN, 1983, PHYS REV A, V28, P1869, DOI 10.1103/PhysRevA.28.1869 KAO HC, 1992, PHYS REV A, V45, P4646, DOI 10.1103/PhysRevA.45.4646 KAZANSKY AK, 1992, J PHYS B-AT MOL OPT, V25, P2121, DOI 10.1088/0953-4075/25/9/017 KLAR H, 1981, J PHYS B-AT MOL OPT, V14, P3255, DOI 10.1088/0022-3700/14/17/028 MCGOWAN JW, 1968, PHYS REV, V167, P43, DOI 10.1103/PhysRev.167.43 PAN C, 1991, PHYS REV LETT, V67, P185, DOI 10.1103/PhysRevLett.67.185 PAN C, 1992, PHYS REV A, V45, P4588, DOI 10.1103/PhysRevA.45.4588 PETERKOP R, 1983, J PHYS B-AT MOL OPT, V16, pL587, DOI 10.1088/0022-3700/16/19/006 PETERKOP R, 1971, J PHYS PT B ATOM M P, V4, P513, DOI 10.1088/0022-3700/4/4/013 RAU ARP, 1971, PHYS REV A, V4, P207, DOI 10.1103/PhysRevA.4.207 ROTH TA, 1971, PHYS REV A, V5, P476 SRIVASTAVA MK, 1991, PHYS REV A, V43, P3570, DOI 10.1103/PhysRevA.43.3570 TEMKIN A, 1974, J PHYS B-AT MOL OPT, V7, pL450, DOI 10.1088/0022-3700/7/16/007 TEMKIN A, 1982, PHYS REV LETT, V49, P365, DOI 10.1103/PhysRevLett.49.365 WANNIER GH, 1953, PHYS REV, V90, P817, DOI 10.1103/PhysRev.90.817 WIGNER EP, 1948, PHYS REV, V73, P1002, DOI 10.1103/PhysRev.73.1002CHANG, JC WEI, CM KUO, TY HUANG, KNIOP PUBLISHING LTDBRISTOL

}, month = {Oct}, pages = {4715-4733}, type = {Article}, abstract = {

Single differential and total cross sections of the electron-impact ionization of the hydrogen atom are calculated numerically in the two-potential distorted-wave approximation for excess energies from 0 to 1 eV. Partial-wave contributions to the cross sections are also investigated. The near-threshold cross section is parametrized by the power gamma and the proportionality constant a(0) for models with various asymptotic charges, and the dependence of a(0) on the asymptotic charge is studied. The validity range of the threshold power law is also discussed.

}, keywords = {2 ELECTRONS, 2-ELECTRON ESCAPE, ANGULAR-DISTRIBUTIONS, DEPENDENCE, LAW, SCATTERING}, isbn = {0953-4075}, url = {://WOS:A1994PN01100027}, author = {Chang, J. C. and Wei, C. M. and Kuo, T. Y. and Huang, K. N.} } @article {489, title = {SURFACE DIMER IMAGING USING KIKUCHI ELECTRON HOLOGRAPHY - A STUDY ON SI(001)(2X1) SURFACE}, journal = {Surface Science}, volume = {312}, number = {1-2}, year = {1994}, note = {

ISI Document Delivery No.: NQ051Times Cited: 14Cited Reference Count: 16Cited References: ABRAHAM FF, 1985, SURF SCI, V163, pL752, DOI 10.1016/0039-6028(85)91055-6 BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 LI H, 1993, SURF SCI, V282, P380 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TERMINELLO LJ, 1993, PHYS REV LETT, V70, P599, DOI 10.1103/PhysRevLett.70.599 THEVUTHASAN S, 1993, PHYS REV LETT, V70, P595, DOI 10.1103/PhysRevLett.70.595 TOBIN JG, 1993, PHYS REV LETT, V70, P4150, DOI 10.1103/PhysRevLett.70.4150 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1992, PHYS REV LETT, V69, P3654, DOI 10.1103/PhysRevLett.69.3654 TROMP RM, 1983, SURF SCI, V133, P137, DOI 10.1016/0039-6028(83)90488-0 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-T WEI CM, IN PRESS PHYS REV B WOODRUFF DP, 1993, SURF SCI, V283, P309, DOI 10.1016/0039-6028(93)90996-W WU H, 1993, PHYS REV LETT, V71, P251, DOI 10.1103/PhysRevLett.71.251 ZHAO RG, 1991, STRUCTURE SURFACES, V3, P517HONG, IH JENG, PR SHYU, SC CHOU, YC WEI, CMELSEVIER SCIENCE BVAMSTERDAM

}, month = {Jun}, pages = {L743-L747}, type = {Letter}, abstract = {

We obtained highly resolved and artifact-free 3D holographic images reconstructed from measured Kikuchi electron (quasi-elastic electron) diffraction patterns with contributions from different emitters. Direct inversion of Kikuchi patterns with glancing incidence geometry shows clear images of the surface dimer and the bulk atoms of Si(001)(2 x 1) surface. This observation demonstrates the applicability of electron-emission holography to complicated systems that contain more than one emitter. This work also demonstrates the surface sensitivity of Kikuchi electron holography.

}, keywords = {ATOMS, LEED, PHOTOELECTRON HOLOGRAPHY}, isbn = {0039-6028}, url = {://WOS:A1994NQ05100001}, author = {Hong, I. H. and Jeng, P. R. and Shyu, S. C. and Chou, Y. C. and Wei, C. M.} } @article {490, title = {A MOLECULAR-DYNAMICS STUDY OF SELF-DIFFUSION ON METAL-SURFACES}, journal = {Surface Science}, volume = {301}, number = {1-3}, year = {1994}, note = {

ISI Document Delivery No.: MV372Times Cited: 33Cited Reference Count: 59Cited References: ALANISSILA T, 1992, PROG SURF SCI, V39, P227, DOI 10.1016/0079-6816(92)90017-C Allen M. P., 1987, COMPUTER SIMULATION AYRAULT G, 1974, J CHEM PHYS, V60, P281, DOI 10.1063/1.1680781 BASSETT DW, 1978, SURF SCI, V70, P520, DOI 10.1016/0039-6028(78)90429-6 Bassett D.W., 1969, British Journal of Applied Physics (Journal of Physics D), V2 BASSETT DW, 1976, J PHYS C SOLID STATE, V9, P2491, DOI 10.1088/0022-3719/9/13/009 CHEN C, 1991, PHYS REV LETT, V66, P1610, DOI 10.1103/PhysRevLett.66.1610 CHEN CL, 1991, SURF SCI, V246, P13 CHEN CL, 1992, J VAC SCI TECHNOL A, V10, P2178, DOI 10.1116/1.578001 CHEN CL, 1990, PHYS REV B, V41, P12403, DOI 10.1103/PhysRevB.41.12403 CHEN CL, 1990, PHYS REV LETT, V64, P3147, DOI 10.1103/PhysRevLett.64.3147 COWAN P, 1975, PHYS LETT A, V53, P383, DOI 10.1016/0375-9601(75)90040-7 DAW MS, 1983, PHYS REV LETT, V50, P1285, DOI 10.1103/PhysRevLett.50.1285 DAW MS, 1984, PHYS REV B, V29, P6443, DOI 10.1103/PhysRevB.29.6443 DOLL JD, 1982, J CHEM PHYS, V77, P479, DOI 10.1063/1.443630 DOLL JD, 1982, SURF SCI, V123, P99, DOI 10.1016/0039-6028(82)90132-7 EHRLICH G, 1980, ANNU REV PHYS CHEM, V31, P603, DOI 10.1146/annurev.pc.31.100180.003131 EHRLICH G, 1991, SURF SCI, V246, P1, DOI 10.1016/0039-6028(91)90385-6 EHRLICH G, 1966, J CHEM PHYS, V44, P1039, DOI 10.1063/1.1726787 ERHLICH G, 1981, PHYS TODAY JUN, P44 FEIBELMAN PJ, 1990, PHYS REV LETT, V65, P729, DOI 10.1103/PhysRevLett.65.729 FINNIS MW, 1984, PHILOS MAG A, V50, P45 FLAHIVE PG, 1980, SURF SCI, V91, P449, DOI 10.1016/0039-6028(80)90344-1 GAROFALINI SH, 1981, SURF SCI, V104, P199, DOI 10.1016/0039-6028(81)90130-8 GIRIFALCO LA, 1959, PHYS REV, V114, P687, DOI 10.1103/PhysRev.114.687 GRAHAM WR, 1974, SURF SCI, V45, P530, DOI 10.1016/0039-6028(74)90187-3 GRAHAM WR, 1975, THIN SOLID FILMS, V25, P85, DOI 10.1016/0040-6090(75)90249-7 GUILLOPE M, 1989, SURF SCI, V215, P577, DOI 10.1016/0039-6028(89)90277-X GUPTA RP, 1981, PHYS REV B, V23, P6252 HALICIOGLU T, 1975, PHYS STATUS SOLIDI A, V30, P619, DOI 10.1002/pssa.2210300223 KAHANER D, 1989, NUMBERICAL METHODS S KELLOGG GL, 1978, SURF SCI, V70, P485, DOI 10.1016/0039-6028(78)90428-4 KELLOGG GL, 1990, PHYS REV LETT, V64, P3143, DOI 10.1103/PhysRevLett.64.3143 LIU CL, 1991, SURF SCI, V253, P334, DOI 10.1016/0039-6028(91)90604-Q LOMBARDO SJ, 1991, SURF SCI REP, V13, P1 MCDOWELL HK, 1982, SURF SCI, V121, pL537, DOI 10.1016/0039-6028(82)90230-8 MCDOWELL HK, 1983, J CHEM PHYS, V78, P3219, DOI 10.1063/1.445238 Muller E. W., 1969, FIELD ION MICROSCOPY NOGGLE JH, 1989, PHYSICAL CHEM, P37 PARK SC, 1984, J CHEM PHYS, V80, P2191, DOI 10.1063/1.446907 REED DA, 1975, PHILOS MAG, V32, P1095, DOI 10.1080/14786437508221679 ROSATO V, 1989, PHILOS MAG A, V59, P321 SUTTON AP, 1990, PHIL MAG LETT, V61, P139, DOI 10.1080/09500839008206493 TOMANEK D, 1985, PHYS REV B, V32, P5051, DOI 10.1103/PhysRevB.32.5051 TOMANEK D, 1983, PHYS REV B, V28, P665, DOI 10.1103/PhysRevB.28.665 TSONG TT, 1991, PHYS REV B, V43, P2007, DOI 10.1103/PhysRevB.43.2007 TSONG TT, 1988, REP PROG PHYS, V51, P759, DOI 10.1088/0034-4885/51/6/001 TSONG TT, 1975, PHYS REV B, V12, P1343, DOI 10.1103/PhysRevB.12.1343 TSONG TT, 1993, PHYS TODAY, V46, P24, DOI 10.1063/1.881389 Tsong TT, 1990, ATOM PROBE FIELD ION TSONG TT, 1975, THIN SOLID FILMS, V25, P97, DOI 10.1016/0040-6090(75)90250-3 TULLY JC, 1979, J CHEM PHYS, V71, P1630, DOI 10.1063/1.438490 TUNG RT, 1980, SURF SCI, V97, P73, DOI 10.1016/0039-6028(80)90104-1 VOTER AF, 1984, J CHEM PHYS, V80, P5832, DOI 10.1063/1.446610 WAHNSTROM G, 1990, INTERACTION ATOMS MO WANG SC, 1989, SURF SCI, V224, pL997, DOI 10.1016/0039-6028(89)90896-0 WANG SC, 1989, PHYS REV LETT, V62, P2297, DOI 10.1103/PhysRevLett.62.2297 WILSON WD, 1981, PHYS REV B, V24, P5616, DOI 10.1103/PhysRevB.24.5616 WRIGLEY JD, 1980, PHYS REV LETT, V44, P661, DOI 10.1103/PhysRevLett.44.661SHIANG, KD WEI, CM TSONG, TTELSEVIER SCIENCE BVAMSTERDAM

}, month = {Jan}, pages = {136-150}, type = {Article}, abstract = {

We propose in this paper a theoretical model to investigate surface self-diffusion of single adatoms on the face-centered-cubic metals. Calculations are performed on the channeled (110), densely packed (111) and loosely packed (001) surfaces of iridium at temperature T = 800 K. Three realistic model potentials, Embedded Atom method, Sutton-Chen and Rosato-Guillope-Legrand potentials, are applied to describe the interatomic interaction of the adatom/substrate systems. These potentials all involve a few empirical fittings of bulk properties of solid which incorporate with many-body effects. With these potentials, conventional molecular dynamics (MD) is employed to obtain trajectories of the atoms. On the (111) plane, via the Einstein relation, the estimated random walk exponential prefactors and activation energies do exhibit Arrhenius behavior, which are in reasonably good agreement with the experimental results. On the (001) and (110) faces, a number of theoretical evidences for atomic diffusion by exchange mechanism of the adatom with a surface atom are presented, which are again in fairly good agreement with the experiments. In addition, an examination of the exchange diffusion characteristics on several systems (Cu, Rh and Pt) is also presented.

}, keywords = {ADSORPTION, ATOMIC EXCHANGE MECHANISM, BEHAVIOR, CLUSTERS, CRYSTAL, IR ATOMS, PLATINUM, SINGLE ADATOMS, SYSTEM, TRANSITION-METALS}, isbn = {0039-6028}, url = {://WOS:A1994MV37200022}, author = {Shiang, K. D. and Wei, C. M. and Tsong, T. T.} } @article {492, title = {DIRECT ATOMIC IMAGING USING EXPERIMENTAL MULTIPLE-ENERGY KIKUCHI ELECTRON PATTERNS}, journal = {Physical Review B}, volume = {49}, number = {7}, year = {1994}, note = {

ISI Document Delivery No.: MZ448Times Cited: 12Cited Reference Count: 11Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TERMINELLO LJ, 1993, PHYS REV LETT, V70, P599, DOI 10.1103/PhysRevLett.70.599 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 TONNER BP, 1991, PHYS REV B, V43, P14423, DOI 10.1103/PhysRevB.43.14423 WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-TWEI, CM HONG, IH JENG, PR SHYU, SC CHOU, YCAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Feb}, pages = {5109-5112}, type = {Note}, abstract = {

We demonstrate a direct surface structural tool with high resolution of approximately 1 angstrom in all directions by direct Fourier transformation of measured Kikuchi patterns using a multiple-energy phase-summing method. In this method, with an integral over continuous energy spectra in each direction, both the forward- and backward-scattering oscillations are selected for Fourier transformation by varying the energy range and size of the grid. High-fidelity and artifact-free three-dimensional images of Ag atoms for (100) and (111) single-crystal surfaces are obtained.

}, keywords = {DIFFRACTION, FORWARD-SCATTERING, HOLOGRAPHY, LEED, SPECTROSCOPIES}, isbn = {0163-1829}, url = {://WOS:A1994MZ44800102}, author = {Wei, C. M. and Hong, I. H. and Jeng, P. R. and Shyu, S. C. and Chou, Y. C.} } @article {494, title = {DIRECT STRUCTURAL DETERMINATION BY INVERSION OF EXPERIMENTAL DIFFUSE LOW-ENERGY-ELECTRON DIFFRACTION INTENSITIES}, journal = {Physical Review Letters}, volume = {72}, number = {15}, year = {1994}, note = {

ISI Document Delivery No.: NE851Times Cited: 53Cited Reference Count: 23Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 Bragg W.L., 1913, Proceedings of the Cambridge Philosophical Society, V17 DANDRES PL, 1992, SURF SCI, V269, P1 DEANDRES PL, 1988, SURF SCI, V193, P1, DOI 10.1016/0039-6028(88)90319-6 DEMUTH JE, 1975, PHYS REV B, V11, P1460, DOI 10.1103/PhysRevB.11.1460 GABOR D, 1948, NATURE, V161, P777, DOI 10.1038/161777a0 HANKE G, 1980, SURF SCI, V91, P551, DOI 10.1016/0039-6028(80)90350-7 HEINZ K, 1988, PROG SURF SCI, V27, P239, DOI 10.1016/0079-6816(88)90008-1 HEINZ K, 1993, APPL SURF SCI, V70-1, P367, DOI 10.1016/0169-4332(93)90460-S HEINZ K, 1990, VACUUM, V41, P328, DOI 10.1016/0042-207X(90)90349-4 IBACH H, 1986, SURF SCI, V176, P629, DOI 10.1016/0039-6028(86)90061-0 MENDEZ MA, 1992, PHYS REV B, V45, P9402, DOI 10.1103/PhysRevB.45.9402 MULLER K, 1986, SPRINGER SERIES SURF, V2, P105 OED W, 1989, SURF SCI, V224, P179, DOI 10.1016/0039-6028(89)90909-6 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TOBIN JG, 1993, PHYS REV LETT, V70, P4150, DOI 10.1103/PhysRevLett.70.4150 TONG SY, 1992, PHYS REV B, V46, P2452, DOI 10.1103/PhysRevB.46.2452 TONG SY, 1992, PHYS REV B, V46, P4155, DOI 10.1103/PhysRevB.46.4155 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 WEDLER H, 1993, SURF SCI, V293, P47, DOI 10.1016/0039-6028(93)90242-C WEI CM, 1992, SURF SCI, V274, pL577, DOI 10.1016/0039-6028(92)90828-TWEI, CM TONG, SY WEDLER, H MENDEZ, MA HEINZ, KAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Apr}, pages = {2434-2437}, type = {Article}, abstract = {

We demonstrate that two-dimensionally resolved diffuse low-energy electron diffraction intensities can be measured with sufficient accuracy and at multiple energies to allow direct inversion for a low coverage (5\%) disordered K/Ni(100) surface. The data inversion reveals three-dimensional coordinates of atoms with atom images whose full width at half maximum is less than 1 angstrom in all spatial directions. By varying the angle of incidence, first layer and second layer near-neighbor Ni atoms are separately imaged. This is the first demonstration of multiple-energy internal-source electron holography using measured elastically backscattered electrons.

}, keywords = {EMISSION HOLOGRAPHY, EXTENSION, LEED, RECONSTRUCTION, SCATTERING, SURFACES}, isbn = {0031-9007}, url = {://WOS:A1994NE85100032}, author = {Wei, C. M. and Tong, S. Y. and Wedler, H. and Mendez, M. A. and Heinz, K.} } @article {487, title = {SURFACE AND BULK PHOTOELECTRON DIFFRACTION FROM W(110) 4F CORE LEVELS}, journal = {Physical Review B}, volume = {48}, number = {7}, year = {1993}, note = {

ISI Document Delivery No.: LW026Times Cited: 28Cited Reference Count: 20Cited References: BARTYNSKI RA, 1989, PHYS REV B, V40, P5340, DOI 10.1103/PhysRevB.40.5340 BREAUX LH, 1986, NUCL INSTRUM METH A, V246, P248, DOI 10.1016/0168-9002(86)90083-5 CHAUVEAU D, 1984, SOLID STATE COMMUN, V52, P635, DOI 10.1016/0038-1098(84)90723-3 CHIANG TC, 1988, CRIT REV SOLID STATE, V14, P269, DOI 10.1080/10408438808243735 DEBE MK, 1979, SURF SCI, V81, P193, DOI 10.1016/0039-6028(79)90513-2 DRAKAKI M, UNPUB EGELHOFF WF, 1990, CRIT REV SOLID STATE, V16, P213, DOI 10.1080/10408439008244629 JUGNET Y, 1988, PHYS REV B, V37, P8066, DOI 10.1103/PhysRevB.37.8066 KEVAN SD, 1981, PHYS REV LETT, V46, P1629, DOI 10.1103/PhysRevLett.46.1629 FEDER R, 1981, SURF SCI, V103, P75, DOI 10.1016/0039-6028(81)90100-X LI CH, 1978, PHYS REV B, V17, P3128, DOI 10.1103/PhysRevB.17.3128 MATHEISS LF, 1965, PHYS REV, V139, P236 PURCELL KG, 1989, SURF SCI, V208, P245, DOI 10.1016/0039-6028(89)90002-2 RIFFE DM, UNPUB RIFFE DM, 1989, PHYS REV LETT, V63, P1976, DOI 10.1103/PhysRevLett.63.1976 Spanjaard D., 1985, Surface Science Reports, V5, DOI 10.1016/0167-5729(85)90003-2 STEVENS HA, 1983, J ELECTRON SPECTROSC, V32, P327, DOI 10.1016/0368-2048(83)80027-9 Van Hove M.A., 1979, SURFACE CRYSTALLOGRA WEISS KU, 1992, PHYS REV LETT, V69, P3196, DOI 10.1103/PhysRevLett.69.3196 WOODRUFF DP, 1978, PHYS REV LETT, V41, P1130, DOI 10.1103/PhysRevLett.41.1130KIM, B CHEN, J ERSKINE, JL MEI, WN WEI, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Aug}, pages = {4735-4740}, type = {Article}, abstract = {

Energy- and angle-dependent photoelectron cross sections from surface and bulk W(110) 4f7/2 core levels are measured and compared with dynamical multiple scattering calculations. The agreement between experimental and theoretical results is found to be significantly better than corresponding previous studies, permitting a determination of the first layer atomic plane distance: d12 = 2.26 +/- 0.05 angstrom. Forward-scattering enhancements along bond directions are observed under selected scattering conditions. In all cases, final-state multiple scattering accounts for the principal energy and angle dependencies in the cross section. Typical variation of bulk and surface 4f photoelectron intensities with kinetic energy or emission angle resulting from final-state effects is observed to be a factor of 2. This result suggests that previous core-level spectra for stepped W(110) surfaces have been incorrectly interpreted.

}, keywords = {CRYSTALLOGRAPHY, ELECTRON, PHOTOEMISSION, SCATTERING, SPECTROSCOPY}, isbn = {0163-1829}, url = {://WOS:A1993LW02600066}, author = {Kim, B. and Chen, J. and Erskine, J. L. and Mei, W. N. and Wei, C. M.} } @article {484, title = {FIELD EVAPORATION OF SILICON IN THE FIELD-ION MICROSCOPE AND SCANNING TUNNELING MICROSCOPE CONFIGURATIONS}, journal = {Physical Review Letters}, volume = {69}, number = {16}, year = {1992}, note = {

ISI Document Delivery No.: JT980Times Cited: 39Cited Reference Count: 15Cited References: BOLDING BC, 1990, PHYS REV B, V41, P10568, DOI 10.1103/PhysRevB.41.10568 GOMER R, 1963, J CHEM PHYS, V38, P1613, DOI 10.1063/1.1776932 Jackson J.D., 1962, CLASSICAL ELECTRODYN Kobayashi A., COMMUNICATION LYO IW, 1989, SCIENCE, V245, P1369, DOI 10.1126/science.245.4924.1369 MAMIN HJ, 1990, PHYS REV LETT, V65, P2418, DOI 10.1103/PhysRevLett.65.2418 MISKOVSKY NM, 1992, PHYS REV B, V46, P2640, DOI 10.1103/PhysRevB.46.2640 Muller E. W., 1969, FIELD ION MICROSCOPY STROSCIO JA, 1991, SCIENCE, V254, P1319, DOI 10.1126/science.254.5036.1319 TERSOFF J, 1988, PHYS REV B, V37, P6991, DOI 10.1103/PhysRevB.37.6991 TSONG TT, 1991, PHYS REV B, V44, P13703, DOI 10.1103/PhysRevB.44.13703 TSONG TT, 1979, SURF SCI, V81, P28, DOI 10.1016/0039-6028(79)90503-X Tsong TT, 1990, ATOM PROBE FIELD ION TSONG TT, 1979, SURF SCI, V85, P1, DOI 10.1016/0039-6028(79)90228-0 WANG J, 1991, PHYS REV B, V43, P12571, DOI 10.1103/PhysRevB.43.12571MISKOVSKY, NM WEI, CM TSONG, TTAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Oct}, pages = {2427-2430}, type = {Article}, abstract = {

Field evaporation of silicon as positive and negative ions in the field ion microscope and scanning tunneling microscope configurations is investigated with the charge-exchange model using atomic potentials from an empirical potential due to Tersoff [Phys. Rev. B 37, 6991 (1988)] and an environment dependent potential developed by Bolding and Andersen [Phys. Rev. B 41, 10568 (1990)]. For the geometry of the field ion microscope, Si+ should be the observable ion species. In the close-spaced electrode geometry of the scanning tunneling microscope, Si2- should be the favored ion species since it requires the lowest evaporation field.

}, keywords = {HIGH ELECTRIC-FIELDS, PENETRATION, SEMICONDUCTOR, SURFACES}, isbn = {0031-9007}, url = {://WOS:A1992JT98000030}, author = {Miskovsky, N. M. and Wei, C. M. and Tsong, T. T.} } @article {485, title = {METHOD FOR SPATIALLY RESOLVED IMAGING OF ENERGY-DEPENDENT PHOTOELECTRON DIFFRACTION}, journal = {Physical Review B}, volume = {46}, number = {4}, year = {1992}, note = {

ISI Document Delivery No.: JE928Times Cited: 95Cited Reference Count: 51Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1986, PHYS REV B, V34, P3807, DOI 10.1103/PhysRevB.34.3807 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BARTON JJ, 1991, STRUCTURE SURFACES, V3 BARTON JJ, 1983, PHYS REV LETT, V51, P272, DOI 10.1103/PhysRevLett.51.272 BARTYNSKI RA, 1989, PHYS REV B, V40, P5340, DOI 10.1103/PhysRevB.40.5340 BENBOW RL, 1983, PHYS REV B, V28, P4160, DOI 10.1103/PhysRevB.28.4160 CHAMBERS SA, IN PRESS J VAC SCI B DEMUTH JE, 1973, PHYS REV LETT, V31, P540, DOI 10.1103/PhysRevLett.31.540 HARDCASTLE S, 1991, SURF SCI, V245, pL190, DOI 10.1016/0039-6028(91)90025-N HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HUANG H, 1991, PHYS REV B, V44, P3240, DOI 10.1103/PhysRevB.44.3240 HUSSAIN Z, 1981, P NATL ACAD SCI USA, V78, P5293, DOI 10.1073/pnas.78.9.5293 KEVAN SD, 1978, PHYS REV LETT, V41, P1565, DOI 10.1103/PhysRevLett.41.1565 KEVAN SD, 1981, PHYS REV LETT, V46, P1629, DOI 10.1103/PhysRevLett.46.1629 KONO S, 1978, PHYS REV LETT, V41, P117, DOI 10.1103/PhysRevLett.41.117 LEE PA, 1975, PHYS REV B, V11, P2795, DOI 10.1103/PhysRevB.11.2795 LI CH, 1979, PHYS REV B, V19, P1769, DOI 10.1103/PhysRevB.19.1769 LI CH, 1979, PHYS REV LETT, V42, P901, DOI 10.1103/PhysRevLett.42.901 LI CH, 1978, PHYS REV B, V17, P3128, DOI 10.1103/PhysRevB.17.3128 LI CH, 1978, PHYS REV LETT, V40, P46, DOI 10.1103/PhysRevLett.40.46 LI CH, 1979, PHYS REV LETT, V43, P526, DOI 10.1103/PhysRevLett.43.526 Li H., UNPUB LIEBSCH A, 1974, PHYS REV LETT, V32, P1203, DOI 10.1103/PhysRevLett.32.1203 ORDERS PJ, 1983, PHYS REV B, V27, P781, DOI 10.1103/PhysRevB.27.781 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 REHR JJ, 1990, PHYS REV B, V41, P8139, DOI 10.1103/PhysRevB.41.8139 ROSENBLATT DH, 1982, PHYS REV B, V26, P3181, DOI 10.1103/PhysRevB.26.3181 ROSENBLATT DH, 1981, PHYS REV B, V23, P3828, DOI 10.1103/PhysRevB.23.3828 ROSENBLATT DH, 1982, PHYS REV B, V26, P1812, DOI 10.1103/PhysRevB.26.1812 SMITH NV, 1977, PHYS REV B, V16, P2699, DOI 10.1103/PhysRevB.16.2699 STUCK A, 1992, SURF SCI, V264, P380, DOI 10.1016/0039-6028(92)90193-A SZOEKE A, 1986, AIP C P, V147 THEVUTHASAN S, 1991, PHYS REV LETT, V67, P469, DOI 10.1103/PhysRevLett.67.469 TOBIN JG, 1991, MATER RES SOC SYMP P, V208, P283 TOBIN JG, 1982, PHYS REV B, V26, P7076, DOI 10.1103/PhysRevB.26.7076 TONG SL, UNPUB TONG SY, 1981, CRC CR REV SOL STATE, V10, P209, DOI 10.1080/10408438108243634 TONG SY, IN PRESS PHYS REV B TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1977, PHYS REV LETT, V39, P498, DOI 10.1103/PhysRevLett.39.498 TONG SY, 1985, PHYS REV B, V32, P2096, DOI 10.1103/PhysRevB.32.2096 TONG SY, 1983, PHYS REV B, V27, P4632, DOI 10.1103/PhysRevB.27.4632 TONG SY, 1991, MATER RES SOC SYMP P, V208, P13 TONG SY, 1978, B AM PHYS SOC, V23, P417 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 WANG LQ, 1991, PHYS REV B, V44, P1292, DOI 10.1103/PhysRevB.44.1292 WEI CM, 1991, PHYS REV B, V43, P6354, DOI 10.1103/PhysRevB.43.6354 WEI CM, 1990, PHYS REV LETT, V65, P2278, DOI 10.1103/PhysRevLett.65.2278 WOODRUFF DP, 1978, PHYS REV LETT, V41, P1130, DOI 10.1103/PhysRevLett.41.1130 WOODRUFF DP, 1975, SURF SCI, V53, P538, DOI 10.1016/0039-6028(75)90152-1TONG, SY HUANG, H WEI, CMAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jul}, pages = {2452-2459}, type = {Article}, abstract = {

We present a method for spatially resolved imaging of energy-dependent photoelectron diffraction. Energy-dependent photoelectron-diffraction spectra are individually Fourier transformed to three-dimensional vector space. The complex transformed amplitudes are summed over a span of phi angles or over a span of polar angles. The images are, respectively, well resolved in the radial and azimuthal directions, or in the radial and polar directions. The intersections of these real-space maps fix the atomic coordinates. We show how the intensity loci from single and multiple scattering paths are separately resolved and how most multiple scattering contributions are eliminated. By varying the collection angles, atoms in different regions relative to the emitter, e.g., surface or bulk atoms, are imaged. One can also use the photon{\textquoteright}s A vector to enhance the near-pi backscattering geometry. We compare this method with another direct method: extended x-ray-absorption fine structure.

}, keywords = {ABSORPTION, ADSORBATE-GEOMETRY, ELECTRON-EMISSION HOLOGRAPHY, FINE-STRUCTURE, FORWARD-SCATTERING, MULTIPLE-SCATTERING, NI(001), OVERLAYERS, SPECTROSCOPIES, SURFACE, X-RAY PHOTOEMISSION}, isbn = {1098-0121}, url = {://WOS:A1992JE92800055}, author = {Tong, S. Y. and Huang, H. and Wei, C. M.} } @article {486, title = {DIRECT ATOMIC-STRUCTURE BY HOLOGRAPHIC DIFFUSE LEED}, journal = {Surface Science}, volume = {274}, number = {3}, year = {1992}, note = {

ISI Document Delivery No.: JH828Times Cited: 45Cited Reference Count: 24Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 BARTON JJ, 1991, PHYS REV LETT, V67, P3106, DOI 10.1103/PhysRevLett.67.3106 BARTON JJ, 1991, STRUCTURE SURFACES, V3 BAUER E, 1990, CHEM PHYSICS SOLID S, V8 CHAMBERS SA, IN PRESS J VAC TECHN CHAMBERS SA, IN PRESS SURF SCI RE Duke C.B., 1974, Critical Reviews in Solid State Sciences, V4 HEINZ K, 1988, PROG SURF SCI, V27, P239, DOI 10.1016/0079-6816(88)90008-1 HEINZ K, 1985, PHYS REV LETT, V55, P2313 HU PJ, 1991, CHEM PHYS LETT, V183, P521, DOI 10.1016/0009-2614(91)80169-X HUANG H, 1991, PHYS REV B, V44, P3240, DOI 10.1103/PhysRevB.44.3240 IBACH H, 1986, SURF SCI, V176, P629, DOI 10.1016/0039-6028(86)90061-0 LI H, UNPUB SURF SCI PENDRY JB, 1984, SURF SCI, V145, P33, DOI 10.1016/0039-6028(84)90764-7 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 STUCK A, 1992, SURF SCI, V264, P380, DOI 10.1016/0039-6028(92)90193-A SZOKE A, 1986, AIP C P, V147 TONG SY, 1991, PHYS REV LETT, V66, P60, DOI 10.1103/PhysRevLett.66.60 TONG SY, 1992, PHYS REV 0615 TONG SY, 1991, MATER RES SOC SYMP P, V208, P13 TONG SY, 1991, PHYS REV LETT, V67, P3102, DOI 10.1103/PhysRevLett.67.3102 VANHOVE MA, 1970, SURFACE CRYSTALLOGRA VANHOVE MA, 1975, J VAC SCI TECHNOL, V12, P231 WEI CM, 1990, PHYS REV LETT, V65, P2278, DOI 10.1103/PhysRevLett.65.2278WEI, CM TONG, SYELSEVIER SCIENCE BVAMSTERDAM

}, month = {Aug}, pages = {L577-L582}, type = {Article}, abstract = {

A multiple-energy phase-summing method is applied to diffuse low-energy electron diffraction intensity spectra to obtain three-dimensional images of surface atoms. In this demonstration, calculated DLEED intensity spectra from a multiple scattering method are directly inverted to produce high-fidelity 3D images of near-neighbor atoms measured from an adatom. No prior knowledge of adsorption site, bond length, bond angle, or type of atom is needed. The images are essentially free from artifacts and have a spatial resolution of approximately 1 angstrom when viewed along any cut-plane. These results demonstrate that holographic DLEED has the potential of being an accurate and direct structural tool for low-density disordered adsorption systems.

}, keywords = {MULTIPLE-SCATTERING, PHOTOEMISSION, SURFACES}, isbn = {0039-6028}, url = {://WOS:A1992JH82800002}, author = {Wei, C. M. and Tong, S. Y.} } @article {483, title = {RELATIVISTIC CROSS-SECTIONS OF ELECTRON-IMPACT IONIZATION OF HYDROGENIC IONS}, journal = {Physical Review A}, volume = {45}, number = {7}, year = {1992}, note = {

ISI Document Delivery No.: HN474Times Cited: 17Cited Reference Count: 23Cited References: BANKS D, 1978, J PHYS B-AT MOL OPT, V11, P2209, DOI 10.1088/0022-3700/11/12/019 DEFRANCE P, 1981, J PHYS B-AT MOL OPT, V14, P103, DOI 10.1088/0022-3700/14/1/012 DOLDER KT, 1961, PROC R SOC LON SER-A, V264, P367, DOI 10.1098/rspa.1961.0205 DOLDER KT, 1976, REP PROG PHYS, V39, P693, DOI 10.1088/0034-4885/39/8/001 Donets E. D., 1981, ZH EKSP TEOR FIZ, V80, P916 Edmonds A., 1957, ANGULAR MOMENTUM QUA FITE WL, 1958, PHYS REV, V112, P1141, DOI 10.1103/PhysRev.112.1141 Huang K. N., 1979, REV MOD PHYS, V53, P215 HUANG KN, 1983, PHYS REV A, V28, P1869, DOI 10.1103/PhysRevA.28.1869 KUNC JA, 1980, J PHYS B-AT MOL OPT, V13, P587, DOI 10.1088/0022-3700/13/3/020 MCGOWAN JW, 1968, PHYS REV, V167, P43, DOI 10.1103/PhysRev.167.43 PEART B, 1969, J PHYS PT B ATOM M P, V2, P1347, DOI 10.1088/0022-3700/2/12/314 ROTHE EW, 1962, PHYS REV, V125, P582, DOI 10.1103/PhysRev.125.582 RUDGE MRH, 1965, PROC R SOC LON SER-A, V283, P262, DOI 10.1098/rspa.1965.0020 RUDGE MRH, 1968, REV MOD PHYS, V4, P546 RUDGE MRH, 1966, P PHYS SOC LOND, V88, P563, DOI 10.1088/0370-1328/88/3/303 RUGESS A, 1963, P R SOC LONDON A, V273, P372 SALOP A, 1976, PHYS REV A, V14, P2095, DOI 10.1103/PhysRevA.14.2095 TAWARA H, 1987, ATOM DATA NUCL DATA, V36, P167, DOI 10.1016/0092-640X(87)90014-3 Thomson JJ, 1912, PHILOS MAG, V23, P449 TSUJI A, 1980, J PHYS SOC JPN, V48, P2026 YOUNGER SM, 1980, PHYS REV A, V22, P111, DOI 10.1103/PhysRevA.22.111 YOUNGER SM, 1982, J QUANT SPECTROSC RA, V27, P541, DOI 10.1016/0022-4073(82)90106-6KAO, HC KUO, TY YEN, HP WEI, CM HUANG, KNAMERICAN PHYSICAL SOCCOLLEGE PKPart a

}, month = {Apr}, pages = {4646-4652}, type = {Article}, abstract = {

Total and single-differential cross sections for electron-impact ionization are calculated in a relativistic formulation for ions in the hydrogen isoelectronic sequence: HI, He II, C VI, Ne X, Fe XXVI, and Ag XLVII. Transition amplitudes are evaluated in the two-potential distorted-wave approximation. Sets of different asymptotic charges are used to study the mutual screening of the primary and secondary electrons. Relativistic effects are investigated by taking the nonrelativistic limit and are found to increase the cross sections. Thomson{\textquoteright}s scaling law along the isoelectronic sequence is also studied.

}, keywords = {ATOMS, HE+}, isbn = {1050-2947}, url = {://WOS:A1992HN47400057}, author = {Kao, H. C. and Kuo, T. Y. and Yen, H. P. and Wei, C. M. and Huang, K. N.} } @article {482, title = {ANGLE-RESOLVED X-RAY PHOTOEMISSION SPECTROSCOPY FROM HCP CO(0001) - FORWARD FOCUSING AND ATOMIC IMAGING}, journal = {Physical Review B}, volume = {43}, number = {8}, year = {1991}, note = {

ISI Document Delivery No.: FC704Times Cited: 10Cited Reference Count: 18Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 CHAMBERS SA, 1985, PHYS REV B, V32, P4872, DOI 10.1103/PhysRevB.32.4872 EGELHOFF WF, 1990, CRIT REV SOLID STATE, V16, P213, DOI 10.1080/10408439008244629 FADLEY CS, 1989, SYNCHROTRON RAD RES LI CH, 1978, PHYS REV B, V17, P3128, DOI 10.1103/PhysRevB.17.3128 LI H, 1988, PHYS REV B, V37, P3939 MORUZZI VL, 1978, CALCULATED ELECTRONI POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 POON HC, 1984, PHYS REV B, V30, P6211, DOI 10.1103/PhysRevB.30.6211 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TONG SY, 1981, CRC CR REV SOL STATE, V10, P209, DOI 10.1080/10408438108243634 TONG SY, 1977, PHYS REV LETT, V39, P498, DOI 10.1103/PhysRevLett.39.498 TONG SY, 1985, PHYS REV B, V32, P2096, DOI 10.1103/PhysRevB.32.2096 TONG SY, 1983, PHYS REV B, V27, P4632, DOI 10.1103/PhysRevB.27.4632 TONG SY, 1986, CHEM PHYSICS SOLID S, V6, P509 WANG XD, 1990, SCIENCE, V248, P1129, DOI 10.1126/science.248.4959.1129-b WEI CM, 1990, PHYS REV LETT, V65, P2278, DOI 10.1103/PhysRevLett.65.2278 XU ML, 1989, SURF SCI, V207, P215, DOI 10.1016/0039-6028(89)90121-0WEI, CM ZHAO, TC TONG, SYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Mar}, pages = {6354-6359}, type = {Article}, abstract = {

We have calculated the multiple-scattering x-ray photoemission spectroscopy angular profiles of hcp Co(0001). Layer-by-layer emission contributions are presented, and the focusing directions are identified. Angular transformation of the pattern is performed to obtain real-space images of the nearest-neighbor atoms above the emitters.

}, keywords = {DIFFRACTION, ENERGY, MULTIPLE, NI(001), SCATTERING}, isbn = {0163-1829}, url = {://WOS:A1991FC70400006}, author = {Wei, C. M. and Zhao, T. C. and Tong, S. Y.} } @article {481, title = {PHASE-SHIFT CORRECTION IN 3-DIMENSIONAL IMAGING USING FORWARD-SCATTERING PHOTOEMISSION AND AUGER SPECTROSCOPIES}, journal = {Physical Review Letters}, volume = {66}, number = {1}, year = {1991}, note = {

ISI Document Delivery No.: ER074Times Cited: 105Cited Reference Count: 21Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1345 BEDROSSIAN P, 1989, PHYS REV LETT, V63, P2357 CHAMBERS SA, 1985, PHYS REV B, V32, P4872, DOI 10.1103/PhysRevB.32.4872 EGELHOFF WF, 1990, CRIT REV SOLID STATE, V16, P213, DOI 10.1080/10408439008244629 FADLEY CS, 1989, SYNCHROTRON RAD RES HARP GR, 1990, PHYS REV LETT, V65, P1012, DOI 10.1103/PhysRevLett.65.1012 HEADRICK RL, 1989, PHYS REV LETT, V63, P1253, DOI 10.1103/PhysRevLett.63.1253 HUANG H, 1990, PHYS REV B, V41, P3276, DOI 10.1103/PhysRevB.41.3276 KAXIRAS E, 1990, PHYS REV B, V41, P1262, DOI 10.1103/PhysRevB.41.1262 LI CH, 1978, PHYS REV B, V17, P3128, DOI 10.1103/PhysRevB.17.3128 LI H, 1988, PHYS REV B, V37, P3959, DOI 10.1103/PhysRevB.37.3959 LI H, IN PRESS PHYS REV B LYO IW, 1989, PHYS REV LETT, V63, P1261, DOI 10.1103/PhysRevLett.63.1261 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 POON HC, 1984, PHYS REV B, V30, P6211, DOI 10.1103/PhysRevB.30.6211 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TONG SY, 1985, PHYS REV B, V32, P2096, DOI 10.1103/PhysRevB.32.2096 WANG XD, 1990, SCIENCE, V248, P1129, DOI 10.1126/science.248.4959.1129-b WEI CM, IN PRESS PHYS REV B WEI CM, 1990, PHYS REV LETT, V65, P2278, DOI 10.1103/PhysRevLett.65.2278 XU ML, 1989, SURF SCI, V207, P215, DOI 10.1016/0039-6028(89)90121-0TONG, SY WEI, CM ZHAO, TC HUANG, H LI, HAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jan}, pages = {60-63}, type = {Article}, abstract = {

We invert high-energy (E greater-than-or-equal-to 400 eV) photoelectron and Auger-electron interference patterns to construct 3D images of surface and interface atoms. A new scheme is introduced to correct the phase shift of the image. Image reconstruction is demonstrated for Si(111) square-root 3 x square-root 3-B, a system in which multiple-scattering effects are small and all source waves are equivalent. Using diffraction results from multiple-scattering slab calculations, we achieve a spatial resolution of 1.0-1.3 angstrom, thus qualifying the technique as a direct structural tool.

}, keywords = {ELECTRON DIFFRACTION, ENERGY, MULTIPLE, SI(111), SURFACE}, isbn = {0031-9007}, url = {://WOS:A1991ER07400016}, author = {Tong, S. Y. and Wei, C. M. and Zhao, T. C. and Huang, H. and Li, H.} } @article {480, title = {GROWTH OF CO LAYERS ON CU(111) STUDIED BY FORWARD-FOCUSING ANGLE-RESOLVED X-RAY PHOTOEMISSION SPECTROSCOPY AND REAL-SPACE IMAGING}, journal = {Physical Review Letters}, volume = {65}, number = {18}, year = {1990}, note = {

ISI Document Delivery No.: EE664Times Cited: 58Cited Reference Count: 17Cited References: BARTON JJ, 1988, PHYS REV LETT, V61, P1356, DOI 10.1103/PhysRevLett.61.1356 CHAMBERS SA, 1987, PHYS REV B, V36, P8992, DOI 10.1103/PhysRevB.36.8992 CHAMBERS SA, 1985, PHYS REV B, V32, P4872, DOI 10.1103/PhysRevB.32.4872 EGELHOFF WF, 1990, CRIT REV SOLID STATE, V16, P213, DOI 10.1080/10408439008244629 FADLEY CS, 1989, SYNCHROTRON RAD RES LI CH, 1978, PHYS REV B, V17, P3128, DOI 10.1103/PhysRevB.17.3128 LI H, 1988, PHYS REV B, V37, P3939 LI H, 1989, PHYS REV B, V40, P10241, DOI 10.1103/PhysRevB.40.10241 POON HC, 1986, PHYS REV B, V33, P2198, DOI 10.1103/PhysRevB.33.2198 POON HC, 1984, PHYS REV B, V30, P6211, DOI 10.1103/PhysRevB.30.6211 SALDIN DK, 1990, PHYS REV LETT, V64, P1270, DOI 10.1103/PhysRevLett.64.1270 TONG SY, 1977, PHYS REV LETT, V39, P498, DOI 10.1103/PhysRevLett.39.498 TONG SY, 1985, PHYS REV B, V32, P2096, DOI 10.1103/PhysRevB.32.2096 TONG SY, 1986, CHEM PHYSICS SOLID S, V6, P509 WANG XD, 1990, SCIENCE, V248, P1129, DOI 10.1126/science.248.4959.1129-b WEI CH, IN PRESS XU ML, 1989, SURF SCI, V207, P215, DOI 10.1016/0039-6028(89)90121-0WEI, CM ZHAO, TC TONG, SYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Oct}, pages = {2278-2281}, type = {Article}, abstract = {n/a}, isbn = {0031-9007}, url = {://WOS:A1990EE66400018}, author = {Wei, C. M. and Zhao, T. C. and Tong, S. Y.} } @article {478, title = {QUANTITATIVE STRUCTURAL DETERMINATION OF METALLIC FILM GROWTH ON A SEMICONDUCTOR CRYSTAL - (SQUARE-ROOT-3)R30-DEGREES- (1X1) PB ON GE(111) - REPLY}, journal = {Physical Review Letters}, volume = {64}, number = {10}, year = {1990}, note = {

ISI Document Delivery No.: CQ970Times Cited: 0Cited Reference Count: 4Cited References: DEV BN, 1990, PHYS REV LETT, V64, P1182, DOI 10.1103/PhysRevLett.64.1182 DEV BN, 1988, EUROPHYS LETT, V6, P311, DOI 10.1209/0295-5075/6/4/006 FEIDENHANSL R, 1986, SURF SCI, V178, P927, DOI 10.1016/0039-6028(86)90369-9 HUANG H, 1989, PHYS REV LETT, V62, P559, DOI 10.1103/PhysRevLett.62.559HUANG, H WEI, CM TONNER, BP TONG, SYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Mar}, pages = {1183-1183}, type = {Letter}, abstract = {

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}, isbn = {0031-9007}, url = {://WOS:A1990CQ97000033}, author = {Huang, H. and Wei, C. M. and Tonner, B. P. and Tong, S. Y.} } @article {479, title = {ADSORPTION GEOMETRY OF (2X1) NA ON SI(001)}, journal = {Physical Review B}, volume = {42}, number = {17}, year = {1990}, note = {

ISI Document Delivery No.: EM727Times Cited: 45Cited Reference Count: 26Cited References: ABUKAWA T, 1988, PHYS REV B, V37, P9097, DOI 10.1103/PhysRevB.37.9097 ABUKAWA T, 1989, SURF SCI, V214, P141, DOI 10.1016/0039-6028(89)90413-5 BAGUS PS, 1988, SURF SCI, V206, pL895, DOI 10.1016/0039-6028(88)90132-X BATRA IP, 1990, PHYS REV B, V5, P2763 BATRA IP, 1989, PHYS REV B, V39, P3919, DOI 10.1103/PhysRevB.39.3919 BATRA IP, 1987, PROG SURF SCI, V25, P175 CIRACI S, 1988, PHYS REV B, V37, P2955, DOI 10.1103/PhysRevB.37.2955 CIRACI S, 1986, PHYS REV LETT, V56, P877, DOI 10.1103/PhysRevLett.56.877 GLANDER GS, 1989, THESIS U WISCONSIN GLANDER GS, 1989, SURF SCI, V222, P64, DOI 10.1016/0039-6028(89)90335-X GLANDER GS, 1990, SURF SCI, V224, P60 HUANG H, 1988, PHYS LETT A, V130, P166, DOI 10.1016/0375-9601(88)90422-7 ISHIDA H, 1985, PHYS REV B, V32, P6246, DOI 10.1103/PhysRevB.32.6246 KENDELEWICZ T, 1988, PHYS REV B, V37, P7115, DOI 10.1103/PhysRevB.37.7115 LEVINE JD, 1973, SURF SCI, V34, P90, DOI 10.1016/0039-6028(73)90190-8 LING Y, 1989, PHYS REV B, V39, P10144, DOI 10.1103/PhysRevB.39.10144 MORITZ W, 1984, J PHYS C SOLID STATE, V17, P353, DOI 10.1088/0022-3719/17/2/022 PENDRY JB, 1980, J PHYS C SOLID STATE, V13, P937, DOI 10.1088/0022-3719/13/5/024 POPPENDIECK TD, 1977, THESIS U WISCONSIN RAMIREZ R, 1989, PHYS REV B, V40, P3962, DOI 10.1103/PhysRevB.40.3962 SOUKIASSIAN P, 1989, SURF SCI, V221, pL759, DOI 10.1016/0039-6028(89)90475-5 TONG SY, 1978, SURF SCI, V78, P459, DOI 10.1016/0039-6028(78)90091-2 TONG SY, 1988, J VAC SCI TECHNOL A, V6, P615, DOI 10.1116/1.575179 TSAI MH, 1987, B AM PHYS SOC, V32, P865 TSAI MH, 1988, PHYS REV B, V60, P546 VANHOVE MA, 1975, J PHYS C SOLID STATE, V8, P1362, DOI 10.1088/0022-3719/8/9/007WEI, CM HUANG, H TONG, SY GLANDER, GS WEBB, MBAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Dec}, pages = {11284-11287}, type = {Article}, abstract = {

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}, isbn = {1098-0121}, url = {://WOS:A1990EM72700057}, author = {Wei, C. M. and Huang, H. and Tong, S. Y. and Glander, G. S. and Webb, M. B.} } @article {477, title = {QUANTITATIVE STRUCTURAL DETERMINATION OF METALLIC FILM GROWTH ON A SEMICONDUCTOR CRYSTAL - (SQUARE-ROOT-3 X SQUARE-ROOT-3)R30-DEGREES- (1X1) PB ON GE(111)}, journal = {Physical Review Letters}, volume = {62}, number = {5}, year = {1989}, note = {

ISI Document Delivery No.: T1596Times Cited: 44Cited Reference Count: 16Cited References: FEIDENHANSL R, 1986, SURF SCI, V178, P927, DOI 10.1016/0039-6028(86)90369-9 FEIDENHANSL R, 1987, THESIS U AARHAUS DEN HUANG H, 1988, PHYS LETT A, V130, P166, DOI 10.1016/0375-9601(88)90422-7 ICHIKAWA T, 1983, SOLID STATE COMMUN, V46, P827, DOI 10.1016/0038-1098(83)90012-1 LELAY G, 1985, SURF SCI, V154, P90, DOI 10.1016/0039-6028(85)90354-1 LI H, 1988, SURF SCI, V193, P10, DOI 10.1016/0039-6028(88)90320-2 METOIS JJ, 1983, SURF SCI, V133, P422, DOI 10.1016/0039-6028(83)90011-0 MORITZ W, 1984, J PHYS C SOLID STATE, V17, P353, DOI 10.1088/0022-3719/17/2/022 NICHOLLS JM, 1987, PHYS REV B, V35, P4137, DOI 10.1103/PhysRevB.35.4137 PEDERSEN JS, 1987, SURF SCI, V189, P1047, DOI 10.1016/S0039-6028(87)80548-4 TONG SY, 1988, J VAC SCI TECHNOL A, V6, P615, DOI 10.1116/1.575179 TONNER BP, 1987, PHYS REV B, V36, P989, DOI 10.1103/PhysRevB.36.989 Van Hove M.A., 1979, SURFACE CRYSTALLOGRA VANDERBILT D, 1987, STRUCTURE SURFACES, V2 VANHOVE MA, 1977, SURF SCI, V64, P85, DOI 10.1016/0039-6028(77)90259-X VANHOVE MA, 1975, J PHYS C SOLID STATE, V8, P1362, DOI 10.1088/0022-3719/8/9/007HUANG, H WEI, CM LI, H TONNER, BP TONG, SYAMERICAN PHYSICAL SOCCOLLEGE PK

}, month = {Jan}, pages = {559-562}, type = {Article}, abstract = {

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}, isbn = {0031-9007}, url = {://WOS:A1989T159600020}, author = {Huang, H. and Wei, C. M. and Li, H. and Tonner, B. P. and Tong, S. Y.} } @article {476, title = {LOW-ENERGY ELECTRON-DIFFRACTION ANALYSIS OF THE SI(111)7X7 STRUCTURE}, journal = {Journal of Vacuum Science \& Technology a-Vacuum Surfaces and Films}, volume = {6}, number = {3}, year = {1988}, note = {

ISI Document Delivery No.: N9746Times Cited: 177Cited Reference Count: 28Cited References: BECKER RS, 1985, PHYS REV LETT, V55, P2028, DOI 10.1103/PhysRevLett.55.2028 BENNETT PA, 1983, PHYS REV B, V28, P3656, DOI 10.1103/PhysRevB.28.3656 BINNIG G, 1983, PHYS REV LETT, V50, P120, DOI 10.1103/PhysRevLett.50.120 CULBERTSON RJ, 1980, PHYS REV LETT, V45, P2043, DOI 10.1103/PhysRevLett.45.2043 HARRISON WA, 1976, SURF SCI, V55, P1, DOI 10.1016/0039-6028(76)90372-1 HIMPSEL FJ, 1983, PHYS REV B, V27, P7782, DOI 10.1103/PhysRevB.27.7782 HIMPSEL FJ, 1984, J VAC SCI TECHNOL A, V2, P952, DOI 10.1116/1.572489 HUANG H, IN PRESS MACLAREN JM, 1987, HDB SURFACE STRUCTUR MCRAE EG, 1983, PHYS REV B, V28, P2305, DOI 10.1103/PhysRevB.28.2305 MORITZ W, 1984, J PHYS C SOLID STATE, V17, P353, DOI 10.1088/0022-3719/17/2/022 QIAN GX, 1987, PHYS REV B, V35, P1288, DOI 10.1103/PhysRevB.35.1288 ROBINSON AL, 1986, SCIENCE, V232, P451, DOI 10.1126/science.232.4749.451 ROBINSON IK, 1987, PHYS REV B, V35, P3910, DOI 10.1103/PhysRevB.35.3910 SCHLIER RE, 1959, J CHEM PHYS, V30, P917, DOI 10.1063/1.1730126 TAKAYANAGI K, 1985, J VAC SCI TECHNOL A, V3, P1502, DOI 10.1116/1.573160 Tong S.Y., 1975, Progress in Surface Science, V7, DOI 10.1016/0079-6816(75)90010-6 TONG SY, 1978, SURF SCI, V78, P459, DOI 10.1016/0039-6028(78)90091-2 TROMP RM, 1985, SURF SCI, V155, P441, DOI 10.1016/0039-6028(85)90009-3 TROMP RM, 1986, PHYS REV B, V34, P1388, DOI 10.1103/PhysRevB.34.1388 TROMP RM, 1982, SOLID STATE COMMUN, V44, P971, DOI 10.1016/0038-1098(82)90315-5 TROMP RM, UNPUB Van Hove M.A., 1979, SURFACE CRYSTALLOGRA VANDERBILT D, 1987, PHYS REV LETT, V59, P1456, DOI 10.1103/PhysRevLett.59.1456 VANHOVE MA, 1977, SURF SCI, V64, P85, DOI 10.1016/0039-6028(77)90259-X VANHOVE MA, 1975, J PHYS C SOLID STATE, V8, P1362, DOI 10.1088/0022-3719/8/9/007 YAMAGUCHI T, 1986, PHYS REV B, V34, P1085, DOI 10.1103/PhysRevB.34.1085 YANG WS, 1987, 18TH P INT C PHYS SETONG, SY HUANG, H WEI, CM PACKARD, WE MEN, FK GLANDER, G WEBB, MBAMER INST PHYSICSWOODBURYPart 1

}, month = {May-Jun}, pages = {615-624}, type = {Article}, abstract = {

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}, isbn = {0734-2101}, url = {://WOS:A1988N974600016}, author = {Tong, S. Y. and Huang, H. and Wei, C. M. and Packard, W. E. and Men, F. K. and Glander, G. and Webb, M. B.} }