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Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface
Zhao, K. L.; Chen, D.; Li, D. X.
Corresponding AuthorChen, D.(dchen@imr.ac.cn)
2010-08-15
Source PublicationAPPLIED SURFACE SCIENCE
ISSN0169-4332
Volume256Issue:21Pages:6262-6268
AbstractThe atomic configurations, bonding characteristics, and electronic structures of the N-adsorbed (directly and substitutionally) SrTiO3(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 SrTiO3(0 0 1) surface. (C) 2010 Elsevier B. V. All rights reserved.
KeywordDensity functional theory Electronic structure Surface structure
Funding OrganizationNational Basic Research Program of China ; National Natural Science Foundation of China
DOI10.1016/j.apsusc.2010.03.152
Indexed BySCI
Language英语
Funding ProjectNational Basic Research Program of China[2002CB613503] ; National Basic Research Program of China[2009CB623705] ; National Natural Science Foundation of China[50571100]
WOS Research AreaChemistry ; Materials Science ; Physics
WOS SubjectChemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000278595700022
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/103056
Collection中国科学院金属研究所
Corresponding AuthorChen, D.
AffiliationChinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhao, K. L.,Chen, D.,Li, D. X.. Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface[J]. APPLIED SURFACE SCIENCE,2010,256(21):6262-6268.
APA Zhao, K. L.,Chen, D.,&Li, D. X..(2010).Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface.APPLIED SURFACE SCIENCE,256(21),6262-6268.
MLA Zhao, K. L.,et al."Effects of N adsorption on the structural and electronic properties of SrTiO3(001) surface".APPLIED SURFACE SCIENCE 256.21(2010):6262-6268.
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