latticestructuresandelectronicpropertiesofcigscdsinterfacefirstprinciplescalculations
文献类型：期刊论文
| 作者 | Tang Fuling3; Liu Ran3; Xue Hongtao3; Lu Wenjiang3; Feng Yudong2; Rui Zhiyuan3; Huang Min1 |
| 刊名 | chinesephysicsb
 |
| 出版日期 | 2014 |
| 卷号 | 23期号:7 |
| ISSN号 | 1674-1056 |
| 英文摘要 | Using first-principles calculations within density functional theory, we study the atomic structures and electronic properties of the perfect and defective (2V(Cu) + In-Cu) CuInGaSe2/CdS interfaces theoretically, especially the interface states. We find that the local lattice structure of (2V(Cu) + In-Cu) interface is somewhat disorganized. By analyzing the local density of states projected on several atomic layers of the two interfaces models, we find that for the (2V(Cu) + In-Cu) interface the interface states near the Fermi level in CuInGaSe2 and CdS band gap regions are mainly composed of interfacial Se-4p, Cu-3d and S-3p orbitals, while for the perfect interface there are no clear interface states in the CuInGaSe2 region but only some interface states which are mainly composed of S-3p orbitals in the valance band of CdS region. |
| 资助项目 | [National Natural Science Foundation of China] ; [Gansu Science and Technology Pillar Program, China] |
| 语种 | 英语 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/20476]  |
| 专题 | 中国科学院武汉物理与数学研究所 |
| 作者单位 | 1.中国科学院武汉物理与数学研究所 2.中国科学院寒区旱区环境与工程研究所 3.兰州理工大学 |
| 推荐引用方式 GB/T 7714 | Tang Fuling,Liu Ran,Xue Hongtao,et al. latticestructuresandelectronicpropertiesofcigscdsinterfacefirstprinciplescalculations[J]. chinesephysicsb,2014,23(7). |
| APA | Tang Fuling.,Liu Ran.,Xue Hongtao.,Lu Wenjiang.,Feng Yudong.,...&Huang Min.(2014).latticestructuresandelectronicpropertiesofcigscdsinterfacefirstprinciplescalculations.chinesephysicsb,23(7). |
| MLA | Tang Fuling,et al."latticestructuresandelectronicpropertiesofcigscdsinterfacefirstprinciplescalculations".chinesephysicsb 23.7(2014). |
入库方式： OAI收割
来源：武汉物理与数学研究所
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