Effects of N adsorption on the structural and electronic properties of SrTiO(3)(001) surface
文献类型：期刊论文
| 作者 | K. L. Zhao ; D. Chen ; D. X. Li |
| 刊名 | Applied Surface Science
 |
| 出版日期 | 2010 |
| 卷号 | 256期号:21页码:6262-6268 |
| 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 |
| ISSN号 | 0169-4332 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31746]  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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