Experimental and theoretical identification of a high-pressure polymorph of Ga2S3 with alpha-Bi2Te3-type structure
文献类型：期刊论文
| 作者 | Lai, XJ ; Zhu, F ; Qin, S ; Chen, DL ; Li, YC ; Yang, K ; Wu, X |
| 刊名 | JOURNAL OF APPLIED PHYSICS
 |
| 出版日期 | 2014 |
| 卷号 | 116期号:19 |
| 关键词 | X-RAY-DIFFRACTION TOPOLOGICAL INSULATORS CRYSTAL STRUCTURE BI2TE3 SB2TE3 SUPERCONDUCTIVITY SPECTROSCOPY ALPHA-GA2S3 TRANSITIONS BI2SE3 |
| ISSN号 | 0021-8979 |
| 通讯作者 | xiang.wu@pku.edu.cn |
| 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. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000345513700013 |
| 公开日期 | 2015-03-13 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/14130]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 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.,...&Wu, X.(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). |
入库方式： OAI收割
来源：上海应用物理研究所
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