Sb adsorption on Cu(110), (100), and (111) surfaces

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	Sb adsorption on Cu(110), (100), and (111) surfaces
	H. Y. Xiao; X. T. Zu; X. He; F. Gao
	2006
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	325 期号:2 页码:519-524
摘要	The adsorption of antimony on the (I 10), (10 0) and (I 11) surfaces of Cu has been studied using gradient-corrected density-functional calculations. Our calculations showed that all the surfaces are active for Sb adsorption and surface alloys are formed in which Sb atoms substitute Cu atom in the outermost layer, in excellent agreement with experiments. The vacancy formation energy for (I 10) surface is found to be the smallest and the Sb/Cu(110)c(2 x 2) surface alloy turns out to be energetically the most favorable. Our results are found to agree well with the available experimental and theoretical work. (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 Calculations Antimony Copper Surface Alloy Low-energy-electron Generalized Gradient Approximation Local-density Approximation Ion-scattering Spectroscopy Structural-analysis Molecular-dynamics Atomic-structure Diffraction Relaxation Ag(111)
URL	查看原文
WOS记录号	WOS:000238726900036
引用统计	被引频次：17[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/321006/34596
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Xiao,X. T. Zu,X. He,et al. Sb adsorption on Cu(110), (100), and (111) surfaces[J]. Chemical Physics,2006,325(2):519-524.
APA	H. Y. Xiao,X. T. Zu,X. He,&F. Gao.(2006).Sb adsorption on Cu(110), (100), and (111) surfaces.Chemical Physics,325(2),519-524.
MLA	H. Y. Xiao,et al."Sb adsorption on Cu(110), (100), and (111) surfaces".Chemical Physics 325.2(2006):519-524.