First-principles study of Sb adsorption on Ag(110)(2 x 2)

IMR OpenIR

	First-principles study of Sb adsorption on Ag(110)(2 x 2)
	J. L. Nie; H. Y. Xiao; X. T. Zu; F. Gao
	2006
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	326 期号:2-3 页码:583-588
摘要	The adsorption of antimony atom on the Ag(110) surface has been studied within the density functional theory framework. It was turned out that Sb-Ag surface alloy was formed in which Sb atoms substitute Ag atom in the outermost layer and subsurface site absorption was not preferred, suggesting that Sb is well segregated to the surface. Geometric analysis showed that rumpling between substitutional Sb and Ag in the alloy surface is negligible. These results are found to agree well with the experimental finding of Nascimento et al. [Surf. Sci. 572 (2004) 337]. In addition, investigation of the diffusion of Ag atom on bare and Sb-covered Ag(110) surface showed that Ag adatoms will jump along the so call in-channel direction and Sb substitution has little effect on the diffusion of Ag adatoms on Ag(110) surface. Such diffusion behavior was found to be different from that of Ag adatoms on Ag(I 11) surface, where the diffusion energy barrier was reported to be significantly increased upon Sb substitution [Phys. Rev. Lett. 73 (1993) 2437]. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. pacific nw natl lab, richland, wa 99352 usa.;zu, xt (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;xiaotaozu@yahoo.com
关键词	Density Functional Theory Silver Antimony Substitutional Energy-electron-diffraction By-layer Growth Homoepitaxial Growth Ion-scattering Surface Ag(111) Ag Diffusion Cu(111) Pseudopotentials
URL	查看原文
WOS记录号	WOS:000239380700040
引用统计	被引频次：6[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34410
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. L. Nie,H. Y. Xiao,X. T. Zu,et al. First-principles study of Sb adsorption on Ag(110)(2 x 2)[J]. Chemical Physics,2006,326(2-3):583-588.
APA	J. L. Nie,H. Y. Xiao,X. T. Zu,&F. Gao.(2006).First-principles study of Sb adsorption on Ag(110)(2 x 2).Chemical Physics,326(2-3),583-588.
MLA	J. L. Nie,et al."First-principles study of Sb adsorption on Ag(110)(2 x 2)".Chemical Physics 326.2-3(2006):583-588.