Induced effects by the substitution of Zn in Cu(2)ZnSnXw4 (X=S and Se)
文献类型：期刊论文
| 作者 | Zhong, Guohua; Tse, Kinfai; Zhang, Yiou; Li, Xiaoguang; Huang, Li; Yang, Chunlei; Zhu, Junyi; Zeng, Zhi; Zhang, Zhenyu; Xiao, Xudong |
| 刊名 | THIN SOLID FILMS
 |
| 出版日期 | 2016 |
| 英文摘要 | Based on the density functional theory with hybrid functional approach, we have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M=Zn, Mg, and Ca; X=S and Se) alloy, and have further investigated the electronic and optical properties of stable Cu2MgSnS4 and Cu2MgSnSe4 phases. Thermal stability analysis indicates that Cu2MgSnS4 and Cu2MgSnSe4 are thermodynamically stable, while Cu2CaSnS4 and Cu2CaSnSe4 are unstable. The ground state configuration of the compound changes from kesterite into stannite structure when Zn atoms are substitued by larger Mg or Ca atoms. An energy separation between stannite and kesterite phase similar to that of CZTS is observed. Calculated electronic structures and optical properties suggest that Cu2MgSnS4 and Cu2MgSnSe4 can be efficient photovoltaic materials. |
| 收录类别 | SCI |
| 原文出处 | http://www.sciencedirect.com/science/article/pii/S0040609016000869 |
| 语种 | 英语 |
| 源URL | [http://ir.siat.ac.cn:8080/handle/172644/9806]  |
| 专题 | 深圳先进技术研究院_集成所 |
| 作者单位 | THIN SOLID FILMS |
| 推荐引用方式 GB/T 7714 | Zhong, Guohua,Tse, Kinfai,Zhang, Yiou,et al. Induced effects by the substitution of Zn in Cu(2)ZnSnXw4 (X=S and Se)[J]. THIN SOLID FILMS,2016. |
| APA | Zhong, Guohua.,Tse, Kinfai.,Zhang, Yiou.,Li, Xiaoguang.,Huang, Li.,...&Xiao, Xudong.(2016).Induced effects by the substitution of Zn in Cu(2)ZnSnXw4 (X=S and Se).THIN SOLID FILMS. |
| MLA | Zhong, Guohua,et al."Induced effects by the substitution of Zn in Cu(2)ZnSnXw4 (X=S and Se)".THIN SOLID FILMS (2016). |
入库方式： OAI收割
来源：深圳先进技术研究院
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