Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations

	Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations
	Li C. R.; Li Y. F.; Yao B.; Yang G.; Ding Z. H.; Deng R.; Liu L.
	2013
发表期刊	Physics Letters A
ISSN	ISBN/0375-9601
卷号	377 期号:37
摘要	The electronic structures and optical properties of Cu2ZnSnS4 (CZTS) under in-plane biaxial strain were systematically investigated using first-principles calculations based on generalized gradient approximation and hybrid functional method, respectively. It is found that the fundamental bandgap at the Gamma point decreases linearly with increasing tensile biaxial strain perpendicular to c-axis. However, a bandgap maximum occurs as the compressive biaxial strain is 1.5%. Further increase of compressive strain decreases the bandgap. In addition, the optical properties of CZTS under biaxial strain are also calculated, and the variation trend of optical bandgap with biaxial strain is consistent with the fundamental bandgap. (c) 2013 Elsevier B.V. All rights reserved.
收录类别	SCI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/40638
专题	中科院长春光机所知识产出
推荐引用方式 GB/T 7714	Li C. R.,Li Y. F.,Yao B.,et al. Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations[J]. Physics Letters A,2013,377(37).
APA	Li C. R..,Li Y. F..,Yao B..,Yang G..,Ding Z. H..,...&Liu L..(2013).Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations.Physics Letters A,377(37).
MLA	Li C. R.,et al."Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations".Physics Letters A 377.37(2013).

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