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Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure
Lai, XJ; Zhu, F; Qin, S; Chen, DL; Li, YC; Yang, K; Wu, X; xiang.wu@pku.edu.cn
2014
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume116Issue:19
AbstractSince 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.
KeywordX-ray-diffraction Topological Insulators Crystal Structure Bi2te3 Sb2te3 Superconductivity Spectroscopy Alpha-ga2s3 Transitions Bi2se3
Indexed BySCI
Language英语
WOS IDWOS:000345513700013
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14130
Collection中科院上海应用物理研究所2011-2020年
Corresponding Authorxiang.wu@pku.edu.cn
Recommended Citation
GB/T 7714
Lai, XJ,Zhu, F,Qin, S,et al. Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure[J]. JOURNAL OF APPLIED PHYSICS,2014,116(19).
APA Lai, XJ.,Zhu, F.,Qin, S.,Chen, DL.,Li, YC.,...&xiang.wu@pku.edu.cn.(2014).Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure.JOURNAL OF APPLIED PHYSICS,116(19).
MLA Lai, XJ,et al."Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure".JOURNAL OF APPLIED PHYSICS 116.19(2014).
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