Effect of temperature on the distribution and inhomogeneity degree of Se-S atoms in CuIn(Se1-xSx)2 alloys

doi:10.1088/0022-3727/49/2/025101

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	Effect of temperature on the distribution and inhomogeneity degree of Se-S atoms in CuIn(Se1-xSx)2 alloys
	Xue, Hong-Tao 1; Tang, Fu-Ling 1; Zhang, Fu-Zhen 1; Lu, Wen-Jiang 1; Feng, Yu-Dong 2
刊名	Journal of Physics D: Applied Physics
	2015-11-30
卷号	49 期号:2
关键词	Atoms Calculations Copper alloys Intelligent systems Monte Carlo methods Phase transitions Temperature Atomic distribution Boltzmann function Cluster expansion method CuIn(Se1?xSx)2 Effect of temperature First-principles calculation Inhomogeneities Temperature increase
ISSN号	00223727
DOI	10.1088/0022-3727/49/2/025101
英文摘要	The distribution morphologies and inhomogeneity degrees of Se-S atoms in CuIn(Se1-xSx)2 (CISS) alloys with seven concentrations of sulphur atoms were studied at the temperature range from 23 K to 973 K using Monte Carlo simulations based on the cluster expansion method and first-principles calculations. We found the S(Se) atoms in CISS alloys cluster in a form of ellipsoid or lamella at low temperatures as the concentration of S atoms changes. And the Se-S distribution in CISS alloys becomes more and more homogeneous as the temperature increases. A sharp decline in the inhomogeneity degree σ within a certain temperature range for CISS alloys indicates a phase transition from an inhomogeneous state to a homogeneous state is occurring. And the homogeneous state here is not a totally homogeneous state due to the unavoidable inhomogeneity of CISS alloys. The relation between the inhomogeneity degree and temperature follows well the Boltzmann function model. Finally, a reliable method for predicting the phase transition temperature of similar alloys was proposed. © 2016 IOP Publishing Ltd.
WOS研究方向	Physics
语种	英语
出版者	Institute of Physics Publishing
WOS记录号	WOS:000368089200004
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/112887]
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
作者单位	1.State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Department of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou; 730050, China; 2.Science and Technology on Surface Engineering Laboratory, Lanzhou Institute of Physics, Lanzhou; 730000, China
推荐引用方式 GB/T 7714	Xue, Hong-Tao,Tang, Fu-Ling,Zhang, Fu-Zhen,et al. Effect of temperature on the distribution and inhomogeneity degree of Se-S atoms in CuIn(Se1-xSx)2 alloys[J]. Journal of Physics D: Applied Physics,2015,49(2).
APA	Xue, Hong-Tao,Tang, Fu-Ling,Zhang, Fu-Zhen,Lu, Wen-Jiang,&Feng, Yu-Dong.(2015).Effect of temperature on the distribution and inhomogeneity degree of Se-S atoms in CuIn(Se1-xSx)2 alloys.Journal of Physics D: Applied Physics,49(2).
MLA	Xue, Hong-Tao,et al."Effect of temperature on the distribution and inhomogeneity degree of Se-S atoms in CuIn(Se1-xSx)2 alloys".Journal of Physics D: Applied Physics 49.2(2015).