<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Chang, C. M.</style></author><author><style face="normal" font="default" size="100%">Chou, M. Y.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Alternative low-symmetry structure for 13-atom metal clusters</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Review Letters</style></secondary-title><alt-title><style face="normal" font="default" size="100%">Phys. Rev. Lett.</style></alt-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ATOMS</style></keyword><keyword><style  face="normal" font="default" size="100%">ELECTRONIC SHELL STRUCTURE</style></keyword><keyword><style  face="normal" font="default" size="100%">EXCHANGE</style></keyword><keyword><style  face="normal" font="default" size="100%">MAGIC NUMBERS</style></keyword><keyword><style  face="normal" font="default" size="100%">MAGNETIC-MOMENTS</style></keyword><keyword><style  face="normal" font="default" size="100%">PSEUDOPOTENTIALS</style></keyword><keyword><style  face="normal" font="default" size="100%">TRANSITION</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2004</style></year><pub-dates><date><style  face="normal" font="default" size="100%">Sep</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">&lt;Go to ISI&gt;://WOS:000224131400035</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">13</style></number><volume><style face="normal" font="default" size="100%">93</style></volume><pages><style face="normal" font="default" size="100%">4</style></pages><isbn><style face="normal" font="default" size="100%">0031-9007</style></isbn><language><style face="normal" font="default" size="100%">English</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The atomic geometry, electronic structure, and magnetic moment of 4d transition-metal clusters with 13 atoms are studied by pseudopotential density-functional calculations. We find a new buckled biplanar structure with a C-2v symmetry stabilized by enhanced s-d hybridization. It has a lower energy than the close-packed icosahedral or cuboctahedral structure for elements with more than half-filled d shells. The magnetic moments of this buckled biplanar structure are found to be smaller than those of the icosahedral structure and closer to available experimental results.&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><accession-num><style face="normal" font="default" size="100%">WOS:000224131400035</style></accession-num><notes><style face="normal" font="default" size="100%">&lt;p&gt;ISI Document Delivery No.: 857PSTimes Cited: 79Cited Reference Count: 31Cited References:      Hakkinen H, 2003, J PHYS CHEM A, V107, P6168, DOI 10.1021/jp035437i     KHANNA SN, 2003, QUANTUM PHENOMENA CL     Oviedo J, 2002, J CHEM PHYS, V117, P9548, DOI 10.1063/1.1524154     Hakkinen H, 2002, PHYS REV LETT, V89, DOI 10.1103/PhysRevLett.89.033401     Kumar V, 2002, PHYS REV B, V65     Thomas OC, 2001, J CHEM PHYS, V114, P5514, DOI 10.1063/1.1349547     Moseler M, 2001, PHYS REV LETT, V86, P2545, DOI 10.1103/PhysRevLett.86.2545     Rao BK, 2000, PHYS REV B, V62, P4666, DOI 10.1103/PhysRevB.62.4666     Calleja M, 1999, PHYS REV B, V60, P2020, DOI 10.1103/PhysRevB.60.2020     Sakurai M, 1999, J CHEM PHYS, V111, P235, DOI 10.1063/1.479268     Reddy BV, 1999, PHYS REV B, V59, P5214, DOI 10.1103/PhysRevB.59.5214     Akola J, 1998, PHYS REV B, V58, P3601, DOI 10.1103/PhysRevB.58.3601     Watari N, 1997, J CHEM PHYS, V106, P7531, DOI 10.1063/1.473751     Haberlen OD, 1997, J CHEM PHYS, V106, P5189     Kresse G, 1996, COMP MATER SCI, V6, P15, DOI 10.1016/0927-0256(96)00008-0     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     COX AJ, 1994, PHYS REV B, V49, P12295, DOI 10.1103/PhysRevB.49.12295     COX AJ, 1993, PHYS REV LETT, V71, P923, DOI 10.1103/PhysRevLett.71.923     REDDY BV, 1993, PHYS REV LETT, V70, P3323, DOI 10.1103/PhysRevLett.70.3323     PERDEW JP, 1992, PHYS REV B, V46, P6671, DOI 10.1103/PhysRevB.46.6671     PERDEW JP, 1991, ELECT STRUCTURE SOLI     MARTIN TP, 1990, CHEM PHYS LETT, V172, P209, DOI 10.1016/0009-2614(90)85389-T     SCHRIVER KE, 1990, PHYS REV LETT, V64, P2539, DOI 10.1103/PhysRevLett.64.2539     VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892     KNIGHT WD, 1984, PHYS REV LETT, V52, P2141, DOI 10.1103/PhysRevLett.52.2141     NOSE S, 1984, J CHEM PHYS, V81, P511     ECHT O, 1981, PHYS REV LETT, V47, P1121, DOI 10.1103/PhysRevLett.47.1121     MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI 10.1103/PhysRevB.13.5188     KOHN W, 1965, PHYS REV, V140, P1133     HOHENBERG P, 1964, PHYS REV B, V136, P864Chang, CM Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK&lt;/p&gt;
</style></notes><auth-address><style face="normal" font="default" size="100%">Natl Dong Hwa Univ, Dept Phys, Hualien 974, Taiwan. Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA.Chang, CM (reprint author), Natl Dong Hwa Univ, Dept Phys, Hualien 974, Taiwancmc@mail.ndhu.edu.tw</style></auth-address></record></records></xml>