Experimental and theoretical identification of a high-pressure polymorph   of Ga2S3 with alpha-Bi2Te3-type structure

doi:10.1063/1.4902070

CORC > 北京大学 > 地球与空间科学学院

	Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure
	Lai, Xiaojing ; Zhu, Feng ; Qin, Shan ; Chen, Dongliang ; Li, Yanchun ; Yang, Ke ; Wu, Xiang
刊名	应用物理杂志
	2014
关键词	X-RAY-DIFFRACTION TOPOLOGICAL INSULATORS CRYSTAL STRUCTURE BI2TE3 SB2TE3 SUPERCONDUCTIVITY SPECTROSCOPY ALPHA-GA2S3 TRANSITIONS BI2SE3
DOI	10.1063/1.4902070
英文摘要	Since the discovery of alpha-phase Bi2Te3, Sb2Te3, and Bi2Se3 as 3D topological insulators, many experimental and theoretical studies of A(2)B(3)-type chalcogenides have been performed to search for new materials with interesting elastic and electric properties at ambient and extreme conditions. In this study, high-pressure properties of Ga2S3 have been characterized by in situ synchrotron X-ray diffraction (XRD), X-ray absorption near edge structure measurements, and Density-functional theory (DFT) calculations. At similar to 16.0 GPa, a phase transition of alpha'-Ga2S3 (Cc and Z = 4) is observed experimentally to a new polymorph, which is indentified to be the tetradymite-type or alpha-Bi2Te3-type crystal structure (R (3) over barm and Z = 3) by laser-annealing XRD experiments and DFT calculations. The isothermal pressure-volume relationship of Ga2S3 is well described by the second-order Birch-Murnaghan equation of state with K-0' = 59(2) GPa and K-0' = 4 (fixed) for the alpha'-Ga2S3, and K-0 = 91(3) GPa, and K-0' = 4 (fixed) for the tetradymite-type phase. In addition, band gap of alpha'-Ga2S3 decreases on compression and the tetradymite-type Ga2S3 exhibits metallization based on DFT calculations. The pressure-induced phase transition accompanying by changes of elastic and electrical properties may give some implications to other chalcogenides under high pressure. (C) 2014 AIP Publishing LLC.; Physics, Applied; SCI(E); EI; 0; ARTICLE; xiang.wu@pku.edu.cn; 19; 116
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/155368]
专题	地球与空间科学学院
推荐引用方式 GB/T 7714	Lai, Xiaojing,Zhu, Feng,Qin, Shan,et al. Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure[J]. 应用物理杂志,2014.
APA	Lai, Xiaojing.,Zhu, Feng.,Qin, Shan.,Chen, Dongliang.,Li, Yanchun.,...&Wu, Xiang.(2014).Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure.应用物理杂志.
MLA	Lai, Xiaojing,et al."Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure".应用物理杂志 (2014).