Electronic structure and optical properties of In doped SrTiO(3)/MgO(001)
文献类型：期刊论文
| 作者 | K. L. Zhao ; D. Chen ; D. X. Li |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2009 |
| 卷号 | 485期号:1-2页码:598-603 |
| 关键词 | Density functional theory Electronic structure Optical properties Interface structure srtio3 thin-films single-crystal mgo stability constants systems oxides bulk gas cao |
| ISSN号 | 0925-8388 |
| 中文摘要 | The electronic and optical properties of six possible In doped SrTiO(3)/MgO(001) interface models have been studied by using first-principles method based on the density functional theory. From the analysis of the substitution energy, the segregation energy and density of states, it reveals that an In atom would preferably substituted for the Ti atom at the interface. The effects of In doping oil the SrTiO(3)/MgO(001) film are discussed in detail by the position optimization of In atoms. The electronic structure and optical properties of In doped SrTiO(3)/MgO(001) are dependent on the concentration of In atoms and the relative positions of the In atoms to the interface. (C) 2009 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/321006/32600]  |
| 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. Electronic structure and optical properties of In doped SrTiO(3)/MgO(001)[J]. Journal of Alloys and Compounds,2009,485(1-2):598-603. |
| APA | K. L. Zhao,D. Chen,&D. X. Li.(2009).Electronic structure and optical properties of In doped SrTiO(3)/MgO(001).Journal of Alloys and Compounds,485(1-2),598-603. |
| MLA | K. L. Zhao,et al."Electronic structure and optical properties of In doped SrTiO(3)/MgO(001)".Journal of Alloys and Compounds 485.1-2(2009):598-603. |
入库方式： OAI收割
来源：金属研究所
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