<?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%">Kwak, K. W.</style></author><author><style face="normal" font="default" size="100%">Chou, M. Y.</style></author><author><style face="normal" font="default" size="100%">Troullier, N.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">First-principles study of the H-induced reconstruction of W(110)</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Review B</style></secondary-title><alt-title><style face="normal" font="default" size="100%">Phys. Rev. B</style></alt-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">DIFFUSION</style></keyword><keyword><style  face="normal" font="default" size="100%">HYDROGEN ADSORPTION</style></keyword><keyword><style  face="normal" font="default" size="100%">PLANE</style></keyword><keyword><style  face="normal" font="default" size="100%">PSEUDOPOTENTIALS</style></keyword><keyword><style  face="normal" font="default" size="100%">SURFACE</style></keyword><keyword><style  face="normal" font="default" size="100%">TRANSITION-METALS</style></keyword><keyword><style  face="normal" font="default" size="100%">TUNGSTEN</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">1996</style></year><pub-dates><date><style  face="normal" font="default" size="100%">May</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">&lt;Go to ISI&gt;://WOS:A1996UN90900075</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">20</style></number><volume><style face="normal" font="default" size="100%">53</style></volume><pages><style face="normal" font="default" size="100%">13734-13739</style></pages><isbn><style face="normal" font="default" size="100%">0163-1829</style></isbn><language><style face="normal" font="default" size="100%">English</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;We studied the hydrogen-induced reconstruction of the W(110) surface using the pseudopotential plane wave approach. The calculations for a full monolayer of hydrogen coverage showed that the quasithreefold hollow site (distorted bridge) has the lowest energy, and that for this geometry a surface reconstruction, consisting of a small uniform shift of the W top layer in the [1(1) over bar0$] direction, is energetically favorable. We also studied the surface states for clean and H-covered W(110) and investigated the effect of the reconstruction on electronic structure.&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:A1996UN90900075</style></accession-num><notes><style face="normal" font="default" size="100%">&lt;p&gt;ISI Document Delivery No.: UN909Times Cited: 16Cited Reference Count: 28Cited References:      KOHLER B, 1995, PHYS REV LETT, V74, P1387, DOI 10.1103/PhysRevLett.74.1387     BALDEN M, 1994, SURF SCI, V309, P1141     HULPKE E, 1993, SURF SCI, V287, P837, DOI 10.1016/0039-6028(93)91083-2     HULPKE E, 1992, PHYS REV LETT, V68, P2846, DOI 10.1103/PhysRevLett.68.2846     SAAD Y, 1992, NUMERICAL METHODS LA     TROULLIER N, 1991, PHYS REV B, V43, P1993, DOI 10.1103/PhysRevB.43.1993     WATSON RE, 1991, PHYS REV B, V43, P1455, DOI 10.1103/PhysRevB.43.1455     GOLUB GH, 1990, MATRIX COMPUTATIONS     JEONG K, 1989, J VAC SCI TECHNOL A, V7, P2199, DOI 10.1116/1.575957     GAYLORD RH, 1989, PHYS REV LETT, V62, P2036, DOI 10.1103/PhysRevLett.62.2036     GAYLORD RH, 1988, PHYS REV B, V37, P8491, DOI 10.1103/PhysRevB.37.8491     ALTMAN M, 1987, J VAC SCI TECHNOL A, V5, P1045, DOI 10.1116/1.574182     HERLT HJ, 1986, SURF SCI, V175, P336, DOI 10.1016/0039-6028(86)90240-2     CHUNG JW, 1986, PHYS REV LETT, V56, P749, DOI 10.1103/PhysRevLett.56.749     KITTEL C, 1986, INTRO SOLID STATE PH, P530     HOLLOWAY S, 1984, SURF SCI, V136, P59     JANSEN HJF, 1984, PHYS REV B, V30, P561, DOI 10.1103/PhysRevB.30.561     FU CL, 1983, PHYS REV B, V28, P5480, DOI 10.1103/PhysRevB.28.5480     GONCHAR VV, 1983, ZH EKSP TEOR FIZ, V57, P142     BACHELET GB, 1982, PHYS REV B, V25, P2103, DOI 10.1103/PhysRevB.25.2103     BLANCHET GB, 1982, SURF SCI, V118, P496, DOI 10.1016/0039-6028(82)90201-1     DIFOGGIO R, 1982, PHYS REV B, V25, P3490, DOI 10.1103/PhysRevB.25.3490     LOUIE SG, 1982, PHYS REV B, V26, P1738, DOI 10.1103/PhysRevB.26.1738     PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048     DIFOGGIO R, 1980, PHYS REV LETT, V44, P1258, DOI 10.1103/PhysRevLett.44.1258     KLEINMAN L, 1980, PHYS REV B, V21, P2630, DOI 10.1103/PhysRevB.21.2630     WYCKOFF RWG, 1963, CRYST STRUCT, V1, P19     KWAK KD, UNPUBKwak, KW Chou, MY Troullier, NAMERICAN PHYSICAL SOCCOLLEGE PK&lt;/p&gt;
</style></notes><auth-address><style face="normal" font="default" size="100%">GEORGIA INST TECHNOL,SCH PHYS,ATLANTA,GA 30332. UNIV MINNESOTA,DEPT COMP SCI,MINNEAPOLIS,MN 55455.</style></auth-address></record></records></xml>