First-principles study of point defects in solar cell semiconductor CuInS2

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	First-principles study of point defects in solar cell semiconductor CuInS2
	Chen, H ; Wang, CY ; Wang, JT ; Hu, XP ; Zhou, SX
刊名	JOURNAL OF APPLIED PHYSICS
	2012
卷号	112 期号:8
关键词	THIN-FILMS
ISSN号	0021-8979
通讯作者	Chen, H: Adv Technol & Mat Co Ltd, China Iron & Steel Res Inst Grp, Beijing 100081, Peoples R China.
中文摘要	The formation energies and transition levels of point defects V-Cu, V-In, V-S, In-Cu, Cu-In, and O-S in CuInS2 are studied using the hybrid density functional theory. It is found that the Heyd-Scuseria-Ernzerhof method can accurately describe the electronic structure and gives a band gap of 1.40 eV, in good agreement with the experimental value. On the other hand, we conclude that p-type semiconductor CuInS2 can be obtained under sulfur-rich condition with a certain copper and indium content, while n-type semiconductor CuInS2 can be easily obtained under the copper-rich, indium-rich, sulfur-poor, and non-oxygen conditions. These results provide an excellent account for the modification of the structural and electronic properties of CuInS2. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4762001]
收录类别	SCI
资助信息	Natural Science Foundation of Beijing [2091003]
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/38255]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Chen, H,Wang, CY,Wang, JT,et al. First-principles study of point defects in solar cell semiconductor CuInS2[J]. JOURNAL OF APPLIED PHYSICS,2012,112(8).
APA	Chen, H,Wang, CY,Wang, JT,Hu, XP,&Zhou, SX.(2012).First-principles study of point defects in solar cell semiconductor CuInS2.JOURNAL OF APPLIED PHYSICS,112(8).
MLA	Chen, H,et al."First-principles study of point defects in solar cell semiconductor CuInS2".JOURNAL OF APPLIED PHYSICS 112.8(2012).