First-principles study of point defects in solar cell semiconductor CuI
文献类型：期刊论文
| 作者 | Chen, H ; Wang, CY ; Wang, JT ; Wu, Y ; Zhou, SX |
| 刊名 | PHYSICA B-CONDENSED MATTER
 |
| 出版日期 | 2013 |
| 卷号 | 413页码:116 |
| 关键词 | CuI Semiconductor Point defects First-principles |
| ISSN号 | 0921-4526 |
| 通讯作者 | Wang, CY (reprint author), Cent Iron & Steel Res Inst, Beijing 100081, Peoples R China. |
| 中文摘要 | Hybrid density functional theory is used to study the formation energies and transition levels of point defects V-Cu, V-I, I-Cu, Cu-I and O-I in CuI. It is shown that the Heyd-Scuseria-Ernzerhof (HSE06) method can accurately describe the band gap of bulk CuI. As a solar cell material, we find that p-type semiconductor CuI can be obtained under the iodine-rich and copper-poor conditions. Our results are in good agreement with experiment and provide an excellent account for tuning the structural and electronic properties of CuI. Crown Copyright (c) 2012 Published by Elsevier B.V. All rights reserved. |
| 资助信息 | Natural Science Foundation of Beijing [2091003]; Institute of Applied Physics and Computational Mathematics in Beijing; Tsinghua National Laboratory for Information Science and Technology |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/57025]  |
| 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 | Chen, H,Wang, CY,Wang, JT,et al. First-principles study of point defects in solar cell semiconductor CuI[J]. PHYSICA B-CONDENSED MATTER,2013,413:116. |
| APA | Chen, H,Wang, CY,Wang, JT,Wu, Y,&Zhou, SX.(2013).First-principles study of point defects in solar cell semiconductor CuI.PHYSICA B-CONDENSED MATTER,413,116. |
| MLA | Chen, H,et al."First-principles study of point defects in solar cell semiconductor CuI".PHYSICA B-CONDENSED MATTER 413(2013):116. |
入库方式： OAI收割
来源：物理研究所
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