Pressure-induced anomalous enhancement of insulating state and isosymmetric structural transition in quasi-one-dimensional TiS3

被引：16

作者：

An, Chao ^{[1
,2
]}

Lu, Pengchao ^{[3
]}

Chen, Xuliang ^{[1
]}

Zhou, Yonghui ^{[1
]}

Wu, Juefei ^{[3
]}

Zhou, Ying ^{[1
,2
]}

Park, Changyong ^{[4
]}

Gu, Chuanchuan ^{[1
]}

Zhang, Bowen ^{[1
,2
]}

Yuan, Yifang ^{[1
,5
]}

Sun, Jian ^{[3
,6
]}

Yang, Zhaorong ^{[1
,6
]}

机构：

[1] Chinese Acad Sci, Anhui Prov Key Lab Condensed Matter Phys Extreme, High Magnet Field Lab, Hefei 230031, Anhui, Peoples R China

[2] Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China

[3] Nanjing Univ, Sch Phys, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China

[4] Carnegie Inst Sci, Geophys Lab, HPCAT, Argonne, IL 60439 USA

[5] Zhengzhou Univ, Dept Phys & Engn, Zhengzhou 450052, Henan, Peoples R China

[6] Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China

来源：

PHYSICAL REVIEW B | 2017年 / 96卷 / 13期

关键词：

SEMICONDUCTOR; PREDICTION; GAP;

D O I：

10.1103/PhysRevB.96.134110

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present in situ high-pressure synchrotron x-ray diffraction (XRD) and electrical transport measurements on quasi-one-dimensional single-crystal TiS3 up to 29.9-39.0 GPa in diamond-anvil cells, coupled with first-principles calculations. Counterintuitively, the conductive behavior of semiconductor TiS3 becomes increasingly insulating with pressure until P-C1 similar to 12 GPa, where extremes in all three axial ratios are observed. Upon further compression to P-C2 similar to 22 GPa, the XRD data evidence a structural phase transition. Based on our theoretical calculations, this structural transition is determined to be isosymmetric, i.e., without change of the structural symmetry (P2(1)/m), mainly resulting from rearrangement of the dangling S-2 pair along the a axis.

引用

页数：6

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