| Electronic structure and optical properties of In doped SrTiO(3)/MgO(001) | |
| K. L. Zhao; D. Chen; D. X. Li | |
| 2009 | |
| Source Publication | Journal of Alloys and Compounds
 |
| ISSN | 0925-8388 |
| Volume | 485Issue:1-2Pages:598-603 |
| Abstract | 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. |
| description.department | [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, 72 wenhua rd, shenyang 110016, peoples r china |
| Keyword | Density Functional Theory Electronic Structure Optical Properties Interface Structure Srtio3 Thin-films Single-crystal Mgo Stability Constants Systems Oxides Bulk Gas Cao |
| URL | 查看原文 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/32600 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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. |
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