Transition metals doped CuAlSe2 for promising intermediate band materials
文献类型：期刊论文
| 作者 | Wang, Tingting; Li, Xiaoguang; Li, Wenjie; Huang, Li; Ma, Cencen; Cheng, Ya; Cui, Jun; Luo, Hailin; Zhong, Guohua; Yang, Chunlei |
| 刊名 | MATERIALS RESEARCH EXPRESS
 |
| 出版日期 | 2016 |
| 英文摘要 | Introducing an isolated intermediate band (IB) into a wide band gap semiconductor can potentially improve the optical absorption of the material beyond the Shockley-Queisser limitation for solar cells. Here, we present a systematic study of the thermodynamic stability, electronic structures and optical properties of transition metals (M=Ti, V and Fe) doped CuAlSe2 for potential IB thin film solar cells, by adopting the first-principles calculation based on the hybrid functional method. We found from chemical potential analysis that for all dopants considered, the stable doped phase only exists when the Al atom is substituted. More importantly, with this substitution, the IB feature is determined by 3d electronic nature of M3+ ion, and the electronic configuration of 3d(1) can drive a optimum IB that possesses half-filled character and suitable subbandgap from valence band or conduction band. We further show that Ti-doped CuAlSe2 is the more promising candidate for IB materials since the resulted IB in it is half filled and extra absorption peaks occurs in the optical spectrum accompanied with a largely enhanced light absorption intensity. The result offers a understanding for IB induced by transition metals into CuAlSe2 and is significant to fabricate the related IB materials. |
| 收录类别 | SCI |
| 原文出处 | http://iopscience.iop.org/article/10.1088/2053-1591/3/4/045905/meta |
| 语种 | 英语 |
| 源URL | [http://ir.siat.ac.cn:8080/handle/172644/9810]  |
| 专题 | 深圳先进技术研究院_集成所 |
| 作者单位 | MATERIALS RESEARCH EXPRESS |
| 推荐引用方式 GB/T 7714 | Wang, Tingting,Li, Xiaoguang,Li, Wenjie,et al. Transition metals doped CuAlSe2 for promising intermediate band materials[J]. MATERIALS RESEARCH EXPRESS,2016. |
| APA | Wang, Tingting.,Li, Xiaoguang.,Li, Wenjie.,Huang, Li.,Ma, Cencen.,...&Yang, Chunlei.(2016).Transition metals doped CuAlSe2 for promising intermediate band materials.MATERIALS RESEARCH EXPRESS. |
| MLA | Wang, Tingting,et al."Transition metals doped CuAlSe2 for promising intermediate band materials".MATERIALS RESEARCH EXPRESS (2016). |
入库方式： OAI收割
来源：深圳先进技术研究院
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