First-principles study of Be doped CuAlS2 for p-type transparent conductive materials
| Autor: | Yu-Jun Zhao, Jian-Jun Nie, Chun-Mei Yao, Di-Hu Chen, Dan Huang, Ren-Yu Tian, Xin-Hua Cai |
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| Rok vydání: | 2011 |
| Předmět: |
Materials science
Dopant business.industry Doping Wide-bandgap semiconductor General Physics and Astronomy chemistry.chemical_element Transparency (human–computer interaction) Conductivity chemistry Electrical resistivity and conductivity Computational chemistry Ab initio quantum chemistry methods Optoelectronics Beryllium business |
| Zdroj: | Journal of Applied Physics. 109:113714 |
| ISSN: | 1089-7550 0021-8979 |
| DOI: | 10.1063/1.3574662 |
| Popis: | CuAlS2 has attracted much attention recently as a p-type transparent conductive material. In this paper, we investigate the site preference of substitutional Be in CuAlS2 and the transition level of BeAl using the first-principles calculation. We find that Be would be doped effectively at Al sites in CuAlS2 as a good p-type dopant. In addition, we speculate that Be–Mg or Be–Zn codoped CuAlS2 could have a mobility enhancement and thus a good p-type conductivity due to low lattice distortion. |
| Databáze: | OpenAIRE |
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