Possibility of Doping CuGaSe2 n-Type by Hydrogen

doi:10.1103/PhysRevApplied.15.044021

HFCAS OpenIR

	Possibility of Doping CuGaSe2 n-Type by Hydrogen
	Han, Miaomiao 1; Deak, Peter 2; Zeng, Zhi 3; Frauenheim, Thomas 2,4,5
	2021-04-12
发表期刊	PHYSICAL REVIEW APPLIED
ISSN	2331-7019
通讯作者	Han, Miaomiao(mmhan@zjhu.edu.cn)
摘要	Copper-indium-gallium-selenide (CIGS) alloys are successfully applied in thin-film solar cells. For a better use of the solar spectrum, they also offer the possibility of multijunction devices by tuning the composition in the different layers. As-grown CIGS is intrinsically p-type due to copper vacancies (V-Cu), but n-type doping is also useful for applications. While CuInSe2 can be easily turned n-type, CuGaSe2 cannot, and this represents a problem, because increasing the band gap of CIGS requires a high Ga/In ratio. Investigating the effect of hydrogen on CuGaSe2 by an optimized hybrid functional, we show that hydrogenation from an atomic source as, e.g., by a hydrogen plasma treatment, can turn the material n-type due to the formation of shallow donor V-Cu+2H complexes, while H-2 implantation, producing an internal hydrogen reservoir, can be used to produce semi-insulating material. We also show that under normal process conditions, unintentional hydrogen incorporation does not have a significant effect on CuGaSe2.
DOI	10.1103/PhysRevApplied.15.044021
关键词[WOS]	TOTAL-ENERGY CALCULATIONS ; ELECTRICAL-PROPERTIES ; BAND-STRUCTURE ; POINT-DEFECTS ; SOLAR-CELLS ; WAVE ; SEMICONDUCTORS ; EFFICIENCY ; GAAS
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[61804154] ; HLRN Grant[hbp00054]
项目资助者	National Natural Science Foundation of China ; HLRN Grant
WOS研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000656828900002
出版者	AMER PHYSICAL SOC
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/123639
专题	中国科学院合肥物质科学研究院
通讯作者	Han, Miaomiao
作者单位	1.Huzhou Univ, Sch Sci, Huzhou 313000, Zhejiang, Peoples R China 2.Univ Bremen, Bremen Ctr Computat Mat Sci, D-28344 Bremen, Germany 3.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 4.Computat Sci Res Ctr CSRC Beijing, 10 East Xibeiwang Rd, Beijing 100193, Peoples R China 5.Computat Sci & Appl Res CSAR Inst Shenzhen, 10 East Xibeiwang Rd, Beijing 100193, Peoples R China
推荐引用方式 GB/T 7714	Han, Miaomiao,Deak, Peter,Zeng, Zhi,et al. Possibility of Doping CuGaSe2 n-Type by Hydrogen[J]. PHYSICAL REVIEW APPLIED,2021,15.
APA	Han, Miaomiao,Deak, Peter,Zeng, Zhi,&Frauenheim, Thomas.(2021).Possibility of Doping CuGaSe2 n-Type by Hydrogen.PHYSICAL REVIEW APPLIED,15.
MLA	Han, Miaomiao,et al."Possibility of Doping CuGaSe2 n-Type by Hydrogen".PHYSICAL REVIEW APPLIED 15(2021).