First-principle study of extrinsic defects in cusco2 and cuyo2
文献类型：期刊论文
| 作者 | Fang, Zhi-Jie; Shi, Li-Jie |
| 刊名 | Physics letters a
 |
| 出版日期 | 2008-05-19 |
| 卷号 | 372期号:21页码:3759-3762 |
| 关键词 | Cumo2 Doping Vasp |
| ISSN号 | 0375-9601 |
| DOI | 10.1016/j.physleta.2008.02.053 |
| 通讯作者 | Fang, zhi-jie(nnfang@semi.ac.cn) |
| 英文摘要 | Using first-principles methods, we studied the extrinsic defects doping in transparent conducting oxides cumo2 (m=sc, y). we chose be, mg, ca, si, ge, sn as extrinsic defects to substitute for m and cu atoms. by systematically calculating the impurity formation energy and transition energy level, we find that be-cu is the most prominent extrinsic donor and ca-m is the prominent extrinsic acceptor. in addition, we find that mg atom substituting for sc is the most prominent extrinsic acceptor in cusco2. our calculation results are expected to be a guide for preparing n-type and p-type materials through extrinsic doping in cumo2 (m=sc, y). (c) 2008 elsevier b.v. all rights reserved. |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; ELECTRICAL-CONDUCTION ; DELAFOSSITE STRUCTURE ; THIN-FILMS ; BASIS-SET ; CUALO2 |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000256463800003 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427220 |
| 专题 | 半导体研究所 |
| 通讯作者 | Fang, Zhi-Jie |
| 作者单位 | 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. First-principle study of extrinsic defects in cusco2 and cuyo2[J]. Physics letters a,2008,372(21):3759-3762. |
| APA | Fang, Zhi-Jie,&Shi, Li-Jie.(2008).First-principle study of extrinsic defects in cusco2 and cuyo2.Physics letters a,372(21),3759-3762. |
| MLA | Fang, Zhi-Jie,et al."First-principle study of extrinsic defects in cusco2 and cuyo2".Physics letters a 372.21(2008):3759-3762. |
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来源：半导体研究所
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