Effects of N adsorption on the structural and electronic properties of SrTiO(3)(001) surface

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	Effects of N adsorption on the structural and electronic properties of SrTiO(3)(001) surface
	K. L. Zhao; D. Chen; D. X. Li
	2010
发表期刊	Applied Surface Science
ISSN	0169-4332
卷号	256 期号:21 页码:6262-6268
摘要	The atomic configurations, bonding characteristics, and electronic structures of the N-adsorbed (directly and substitutionally) SrTiO(3)(0 0 1) surface are studied by using first-principles method based on the density functional theory. From the analysis of the energetics and density of states, it is found that the stability of the directly adsorbed N depends on the relative position of N atom to the surface. To better understand the effects of the substitutionally adsorbed N on the surface, as an example, the behavior of Au atoms adsorbed on the N-substituted surface is discussed in detail. There is clearly a synergy effect between the substitution of N for O(s)(I) and the adsorption of Au atoms on the SrTiO(3)(0 0 1) surface. (C) 2010 Elsevier B. V. All rights reserved.
部门归属	[zhao, k. l.; chen, d.; li, d. x.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;chen, d (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;dchen@imr.ac.cn
关键词	Density Functional Theory Electronic Structure Surface Structure Thin-films Srtio3(100) Surface Optical-properties 1st Principles Doped Srtio3 Ab-initio Tio2 Adhesion Systems Energy
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31746
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	K. L. Zhao,D. Chen,D. X. Li. Effects of N adsorption on the structural and electronic properties of SrTiO(3)(001) surface[J]. Applied Surface Science,2010,256(21):6262-6268.
APA	K. L. Zhao,D. Chen,&D. X. Li.(2010).Effects of N adsorption on the structural and electronic properties of SrTiO(3)(001) surface.Applied Surface Science,256(21),6262-6268.
MLA	K. L. Zhao,et al."Effects of N adsorption on the structural and electronic properties of SrTiO(3)(001) surface".Applied Surface Science 256.21(2010):6262-6268.