First-principle study of native defects in CuScO2 and CuYO2
文献类型：期刊论文
| 作者 | Fang, ZJ ; Shi, LJ ; Liu, YH |
| 刊名 | chinese physics b
 |
| 出版日期 | 2008 |
| 卷号 | 17期号:11页码:4279-4284 |
| 关键词 | CuMO2 native defects vienna ab-initio simulation package (VASP) |
| ISSN号 | 1674-1056 |
| 通讯作者 | fang, zj, china univ mining & technol, sch mech & civil engn, beijing 100083, peoples r china. 电子邮箱地址: nnfang@semi.ac.cn |
| 中文摘要 | this paper studies the electronic structure and native defects intransparent conducting oxides cusco2 and cuyo2 using the first-principle calculations. some typical native copper-related and oxygen-related defects, such as vacancy, interstitials, and antisites in their relevant charge state are considered. the results of calculation show that, cumo2 (m = sc, y) is impossible to shown-type conductivity ability. it finds that copper vacancy and oxygen interstitial have relatively low formation energy and they are the relevant defects in cusco2 and cuyo2. copper vacancy is the most efficient acceptor, and under o-rich condition oxygen antisite also becomes important acceptor and plays an important role in p-type conductivity. |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | national natural science foundation of china 60325416 605210019030100760576036project supported by the national natural science foundation of china (grant nos 60325416, 60521001, 90301007 and 60576036). |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/6340]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Fang, ZJ,Shi, LJ,Liu, YH. First-principle study of native defects in CuScO2 and CuYO2[J]. chinese physics b,2008,17(11):4279-4284. |
| APA | Fang, ZJ,Shi, LJ,&Liu, YH.(2008).First-principle study of native defects in CuScO2 and CuYO2.chinese physics b,17(11),4279-4284. |
| MLA | Fang, ZJ,et al."First-principle study of native defects in CuScO2 and CuYO2".chinese physics b 17.11(2008):4279-4284. |
入库方式： OAI收割
来源：半导体研究所
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