Electronic structure and optical properties of In doped SrTiO3/MgO(001)
文献类型：期刊论文
| 作者 | Zhao, K. L.; Chen, D.; Li, D. X. |
| 刊名 | JOURNAL OF ALLOYS AND COMPOUNDS
 |
| 出版日期 | 2009-10-19 |
| 卷号 | 485期号:1-2页码:598-603 |
| ISSN号 | 0925-8388 |
| 关键词 | Density functional theory Electronic structure Optical properties Interface structure |
| DOI | 10.1016/j.jallcom.2009.06.058 |
| 通讯作者 | Chen, D.() |
| 英文摘要 | The electronic and optical properties of six possible In doped SrTiO3/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 SrTiO3/MgO(001) film are discussed in detail by the position optimization of In atoms. The electronic structure and optical properties of In doped SrTiO3/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. |
| 资助项目 | National Basic Research Program of China[2002CB613503] ; National Basic Research Program of China[2009CB623705] ; National Natural Science Foundation of China[50571100] |
| WOS研究方向 | Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE SA |
| WOS记录号 | WOS:000271542900129 |
| 资助机构 | National Basic Research Program of China ; National Natural Science Foundation of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/95898]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Chen, D. |
| 作者单位 | Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, K. L.,Chen, D.,Li, D. X.. Electronic structure and optical properties of In doped SrTiO3/MgO(001)[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2009,485(1-2):598-603. |
| APA | Zhao, K. L.,Chen, D.,&Li, D. X..(2009).Electronic structure and optical properties of In doped SrTiO3/MgO(001).JOURNAL OF ALLOYS AND COMPOUNDS,485(1-2),598-603. |
| MLA | Zhao, K. L.,et al."Electronic structure and optical properties of In doped SrTiO3/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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