Optical properties of Al-doped CuInSe2 from the first principle calculation

doi:10.1016/j.physb.2012.09.015

CORC > 兰州理工大学 > 兰州理工大学 > 省部共建有色金属先进加工与再利用国家重点实验室

	Optical properties of Al-doped CuInSe2 from the first principle calculation
	Tang, Fu-Ling 1,2; Zhu, Zheng-Xin 1,2; Xue, Hong-Tao 2; Lu, Wen-Jiang 2; Feng, Yu-Dong 1; Wang, Zhi-Min 1; Wang, Yi 1
刊名	PHYSICA B-CONDENSED MATTER
	2012-12-15
卷号	407 期号:24 页码:4814-4818
关键词	First principle Optical properties CuInSe2 Dielectric function Solar cell materials
ISSN号	0921-4526
DOI	10.1016/j.physb.2012.09.015
英文摘要	Two kinds of exchange-correlation functional GGA-PBE and HSE06 were used in the first principle method to calculate the complex dielectric function of CuInSe2 and CuAlSe2. Compared with experimental data, GGA-PBE functional cannot properly predict dielectric function, while calculated results by HSE06 quantitatively agree with experimental data. With HSE06 functional, optical properties of CuIn1-xAlxSe2 (x=0, 0.25, 0.5, 0.75 and 1) were calculated. As x increases from 0 to 1, within the solar spectrum, the real and the imaginary parts of the dielectric functions reduce, the static dielectric constant decreases from 7 to 5, the absorption coefficient and refractive indices decrease, while the optical band gap increases from 1.07 to 2.61 eV. (C) 2012 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[10964003][11164014] ; Doctor Subject Foundation of the Ministry of Education of China[20096201120002] ; Science and Technology on Surface Engineering Laboratory of Lanzhou Opening Foundation[BM201102][BM201101]
WOS研究方向	Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000311026800037
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/34803]
专题	省部共建有色金属先进加工与再利用国家重点实验室材料科学与工程学院
通讯作者	Tang, Fu-Ling
作者单位	1.Lanzhou Inst Phys, Sci & Technol Surface Engn Lab, Lanzhou 730000, Peoples R China 2.Lanzhou Univ Technol, State Key Lab Gansu Adv Nonferrous Met Mat, Dept Mat Sci & Engn, Lanzhou 730050, Peoples R China
推荐引用方式 GB/T 7714	Tang, Fu-Ling,Zhu, Zheng-Xin,Xue, Hong-Tao,et al. Optical properties of Al-doped CuInSe2 from the first principle calculation[J]. PHYSICA B-CONDENSED MATTER,2012,407(24):4814-4818.
APA	Tang, Fu-Ling.,Zhu, Zheng-Xin.,Xue, Hong-Tao.,Lu, Wen-Jiang.,Feng, Yu-Dong.,...&Wang, Yi.(2012).Optical properties of Al-doped CuInSe2 from the first principle calculation.PHYSICA B-CONDENSED MATTER,407(24),4814-4818.
MLA	Tang, Fu-Ling,et al."Optical properties of Al-doped CuInSe2 from the first principle calculation".PHYSICA B-CONDENSED MATTER 407.24(2012):4814-4818.