Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations
文献类型：期刊论文
| 作者 | Tang Fu-Ling1,2; Liu Ran1,2; Xue Hong-Tao1; Lu Wen-Jiang1; Feng Yu-Dong2; Rui Zhi-Yuan1; Huang Min3 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2014-07-01 |
| 卷号 | 23期号:7 |
| 关键词 | first-principles calculation CuInGaSe2/CdS density of states interface states |
| 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. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Physics, Multidisciplinary |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | SOLAR-CELLS ; OPTICAL-PROPERTIES ; ALPHA-AL2O3(0001)/NI(111) INTERFACES ; BAND-STRUCTURE ; THIN-FILMS ; CUINSE2 ; SURFACE ; DEVICE ; HETEROJUNCTION ; PERFORMANCE |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000338925300083 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/1375]  |
| 专题 | 武汉物理与数学研究所_原子分子光物理研究部 |
| 作者单位 | 1.Lanzhou Univ Technol, Dept Mat Sci & Engn, State Key Lab Gansu Adv Nonferrous Met Mat, Lanzhou 730050, Peoples R China 2.Lanzhou Inst Phys, Sci & Technol Surface Engn Lab, Lanzhou 730000, Peoples R China 3.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Tang Fu-Ling,Liu Ran,Xue Hong-Tao,et al. Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations[J]. CHINESE PHYSICS B,2014,23(7). |
| APA | Tang Fu-Ling.,Liu Ran.,Xue Hong-Tao.,Lu Wen-Jiang.,Feng Yu-Dong.,...&Huang Min.(2014).Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations.CHINESE PHYSICS B,23(7). |
| MLA | Tang Fu-Ling,et al."Lattice structures and electronic properties of CIGS/CdS interface: First-principles calculations".CHINESE PHYSICS B 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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