@article {1385,
	title = {First-principles study of the H-induced reconstruction of W(110)},
	journal = {Physical Review B},
	volume = {53},
	number = {20},
	year = {1996},
	note = {<p>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</p>
},
	month = {May},
	pages = {13734-13739},
	type = {Article},
	abstract = {<p>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.</p>
},
	keywords = {DIFFUSION, HYDROGEN ADSORPTION, PLANE, PSEUDOPOTENTIALS, SURFACE, TRANSITION-METALS, TUNGSTEN},
	isbn = {0163-1829},
	url = {<Go to ISI>://WOS:A1996UN90900075},
	author = {Kwak, K. W. and Chou, M. Y. and Troullier, N.}
}
