First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface

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	First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface
	Z. G. Wang; X. T. Zu
	2006
发表期刊	Surface Review and Letters
ISSN	0218-625X
卷号	13 期号:4 页码:365-368
摘要	Adsorption and diffusion of a Ba adatom on a reconstructed Si(001) surface were studied using first principles density functional calculation. It was found that the lowest energetic configuration is that the Ba atom resides at the T3' (which is displaced along the [(1) over bar 10] direction from the T3 site by similar to 0.26 angstrom). An anisotropic diffusivity of Ba on the reconstructed surface was found. The preferred direction of diffusion was the trough between Si dimer rows.
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.;zu, xt (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;xiaotaozu@yahoo.com
关键词	First Principles Ba Si(001) Surface Adsorption X-1 Surface Exchange Phase Leed Wave
URL	查看原文
WOS记录号	WOS:000244516800004
引用统计	被引频次：1[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/321006/34544
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. G. Wang,X. T. Zu. First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface[J]. Surface Review and Letters,2006,13(4):365-368.
APA	Z. G. Wang,&X. T. Zu.(2006).First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface.Surface Review and Letters,13(4),365-368.
MLA	Z. G. Wang,et al."First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface".Surface Review and Letters 13.4(2006):365-368.