Effects of oxygen vacancy on impurity distribution and exchange interaction in Co-doped TiO2
文献类型：期刊论文
| 作者 | Sun, YB ; Zhang, XQ ; Li, GK ; Yang, HT ; Cheng, ZH |
| 刊名 | ACTA PHYSICA SINICA
 |
| 出版日期 | 2012 |
| 卷号 | 61期号:2 |
| 关键词 | ROOM-TEMPERATURE FERROMAGNETISM THIN-FILMS TITANIUM-DIOXIDE RUTILE SEMICONDUCTORS BEHAVIOR |
| ISSN号 | 1000-3290 |
| 通讯作者 | Sun, YB: Chinese Acad Sci, Inst Phys, State Key Lab Magnetism, Beijing 100190, Peoples R China. |
| 中文摘要 | Dilute magnetic semiconductors have auracted much attention because of their potential applications in spintronics. In this paper, the effects of oxygen vacancy on total energy and magnetism in Co-doped TiO2 are investigated using the density functional theory. The energy of the system with a shorter Co-Co distance is higher than that with larger Co-Co distance after introducing oxygen vacancy. Oxygen vacancy trends to congregate around the Co cations. Moreover, the strength of exchange couple reduces in the system with a shorter Co-Co distance after introducing oxygen vacancy. For the system with a larger Co-Co distance, the exchange couple between two Co impurities is anti-ferromagnetic if oxygen vacancy is located at the basal site of octahedron containing Co, and ferromagnetic if oxygen vacancy is located at the apical site of octahedron containing Co. |
| 收录类别 | SCI |
| 资助信息 | National Basic Research Program of China [2010CB934202]; National Natural Science Foundation of China |
| 语种 | 中文 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/36782]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Sun, YB,Zhang, XQ,Li, GK,et al. Effects of oxygen vacancy on impurity distribution and exchange interaction in Co-doped TiO2[J]. ACTA PHYSICA SINICA,2012,61(2). |
| APA | Sun, YB,Zhang, XQ,Li, GK,Yang, HT,&Cheng, ZH.(2012).Effects of oxygen vacancy on impurity distribution and exchange interaction in Co-doped TiO2.ACTA PHYSICA SINICA,61(2). |
| MLA | Sun, YB,et al."Effects of oxygen vacancy on impurity distribution and exchange interaction in Co-doped TiO2".ACTA PHYSICA SINICA 61.2(2012). |
入库方式： OAI收割
来源：物理研究所
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