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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, Guohua1; Tse, Kinfai2; Zhang, Yiou2; Li, Xiaoguang1; Huang, Li3; Yang, Chunlei1; Zhu, Junyi2; Zeng, Zhi4; Zhang, Zhenyu5; Xiao, Xudong1,2
刊名THIN SOLID FILMS
出版日期2016-03-31
卷号603期号:无页码:224-229
关键词Cu2znsns4 Cu2mgsns4 Cu2casns4 Solar Cell First-principles Calculation
DOI10.1016/j.tsf.2016.02.005
文献子类Article
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. (C) 2016 Elsevier B.V. All rights reserved.
WOS关键词CU2ZNSNS4 THIN-FILMS ; OPTICAL-PROPERTIES ; SOLAR-CELLS ; EFFICIENCY
WOS研究方向Materials Science ; Physics
语种英语
WOS记录号WOS:000372794900035
资助机构National Major Science Research Program of China(2012CB933700) ; National Major Science Research Program of China(2012CB933700) ; National Major Science Research Program of China(2012CB933700) ; National Major Science Research Program of China(2012CB933700) ; Natural Science Foundation of China(61274093 ; Natural Science Foundation of China(61274093 ; Natural Science Foundation of China(61274093 ; Natural Science Foundation of China(61274093 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Hong Kong Research Grant Council(T23-407/13-N) ; Hong Kong Research Grant Council(T23-407/13-N) ; Hong Kong Research Grant Council(T23-407/13-N) ; Hong Kong Research Grant Council(T23-407/13-N) ; 61574157 ; 61574157 ; 61574157 ; 61574157 ; JCYJ20140901003939002 ; JCYJ20140901003939002 ; JCYJ20140901003939002 ; JCYJ20140901003939002 ; 11274335 ; 11274335 ; 11274335 ; 11274335 ; JCYJ20150521144320993) ; JCYJ20150521144320993) ; JCYJ20150521144320993) ; JCYJ20150521144320993) ; 11504398 ; 11504398 ; 11504398 ; 11504398 ; 51302303 ; 51302303 ; 51302303 ; 51302303 ; 51474132 ; 51474132 ; 51474132 ; 51474132 ; 11404160) ; 11404160) ; 11404160) ; 11404160) ; National Major Science Research Program of China(2012CB933700) ; National Major Science Research Program of China(2012CB933700) ; National Major Science Research Program of China(2012CB933700) ; National Major Science Research Program of China(2012CB933700) ; Natural Science Foundation of China(61274093 ; Natural Science Foundation of China(61274093 ; Natural Science Foundation of China(61274093 ; Natural Science Foundation of China(61274093 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Basic Research Program of Shenzhen(JCYJ20150529143500956 ; Hong Kong Research Grant Council(T23-407/13-N) ; Hong Kong Research Grant Council(T23-407/13-N) ; Hong Kong Research Grant Council(T23-407/13-N) ; Hong Kong Research Grant Council(T23-407/13-N) ; 61574157 ; 61574157 ; 61574157 ; 61574157 ; JCYJ20140901003939002 ; JCYJ20140901003939002 ; JCYJ20140901003939002 ; JCYJ20140901003939002 ; 11274335 ; 11274335 ; 11274335 ; 11274335 ; JCYJ20150521144320993) ; JCYJ20150521144320993) ; JCYJ20150521144320993) ; JCYJ20150521144320993) ; 11504398 ; 11504398 ; 11504398 ; 11504398 ; 51302303 ; 51302303 ; 51302303 ; 51302303 ; 51474132 ; 51474132 ; 51474132 ; 51474132 ; 11404160) ; 11404160) ; 11404160) ; 11404160)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/22347]  
专题合肥物质科学研究院_中科院固体物理研究所
作者单位1.Chinese Acad Sci, Shenzhen Inst Adv Technol, Ctr Photovolta Solar Energy, Shenzhen 518055, Peoples R China
2.Chinese Univ Hong Kong, Dept Phys, Shatin, Hong Kong, Peoples R China
3.South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China
4.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
5.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscales, Int Ctr Quantum Design Funct Mat ICQD, Hefei 230026, Anhui, Peoples R China
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,2016,603(无):224-229.
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,603(无),224-229.
MLA Zhong, Guohua,et al."Induced effects by the substitution of Zn in Cu(2)ZnSnXw4 (X=S and Se)".THIN SOLID FILMS 603.无(2016):224-229.

入库方式： OAI收割

来源：合肥物质科学研究院

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