First-principle study of native defects in cusco2 and cuyo2
文献类型：期刊论文
| 作者 | Fang Zhi-Jie1,2; Shi Li-Jie2; Liu Yong-Hui2 |
| 刊名 | Chinese physics b
 |
| 出版日期 | 2008-11-01 |
| 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 zhi-jie(nnfang@semi.ac.cn) |
| 英文摘要 | 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. |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; THIN-FILMS ; CUALO2 ; SEMICONDUCTORS ; DELAFOSSITES |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000261206700053 |
| 出版者 | IOP PUBLISHING LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427223 |
| 专题 | 半导体研究所 |
| 通讯作者 | Fang Zhi-Jie |
| 作者单位 | 1.China Univ Mining & Technol, Sch Mech & Civil Engn, Beijing 100083, Peoples R China 2.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China |
| 推荐引用方式 GB/T 7714 | Fang Zhi-Jie,Shi Li-Jie,Liu Yong-Hui. First-principle study of native defects in cusco2 and cuyo2[J]. Chinese physics b,2008,17(11):4279-4284. |
| APA | Fang Zhi-Jie,Shi Li-Jie,&Liu Yong-Hui.(2008).First-principle study of native defects in cusco2 and cuyo2.Chinese physics b,17(11),4279-4284. |
| MLA | Fang Zhi-Jie,et al."First-principle study of native defects in cusco2 and cuyo2".Chinese physics b 17.11(2008):4279-4284. |
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来源：半导体研究所
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