High-Pressure Phase Transitions and Structures of Topological Insulator BiTel

被引：49

作者：

Chen, Yuanzheng ^{[1
,2
]}

Xi, Xiaoxiang ^{[3
]}

Yim, Wai-Leung ^{[4
]}

Peng, Feng ^{[1
]}

Wang, Yanchao ^{[1
]}

Wang, Hui ^{[1
]}

Ma, Yanming ^{[1
]}

Liu, Guangtao ^{[1
]}

Sun, Chenglin ^{[2
]}

Ma, Chunli ^{[1
,5
]}

Chen, Zhiqiang ^{[6
]}

Berger, H. ^{[7
]}

机构：

[1] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China

[2] Jilin Univ, Coll Phys, Changchun 130012, Peoples R China

[3] Brookhaven Natl Lab, Upton, NY 11973 USA

[4] Agcy Sci Technol & Res, Inst High Performance Comp, Singapore 138632, Singapore

[5] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA

[6] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA

[7] Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2013年 / 117卷 / 48期

关键词：

SINGLE DIRAC CONE; CRYSTAL-STRUCTURE; SUPERCONDUCTIVITY; BI2TE3; SB2TE3; BI2SE3; MODEL; GAP;

D O I：

10.1021/jp409824g

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Being a giant bulk Rashba semiconductor, the ambient-pressure phase of BiTeI was predicted to transform into a topological insulator under pressure at 1.7-4.1 GPa [Nat. Commun. 2012, 3, 679]. Because the structure governs the new quantum state of matter, it is essential to establish the high-pressure phase transitions and structures of BiTeI for better understanding its topological nature. Here, we report a joint theoretical and experimental study up to 30 GPa to uncover two orthorhombic high-pressure phases of Pnma and P4/nmm structures named phases II and III, respectively. Phases II (stable at 8.8-18.9 GPa) and III (stable at >18.9 GPa) were first predicted by our first-principles structure prediction calculations based on the calypso method and subsequently confirmed by our high-pressure powder X-ray diffraction experiment. Phase II can be regarded as a partially ionic structure, consisting of positively charged (BiTe)(+) ladders and negatively charged I- ions. Phase III is a typical ionic structure characterized by interconnected cubic building blocks of Te-Bi-I stacking. Application of pressures up to 30 GPa tuned effectively the electronic properties of BiTeI from a topological insulator to a normal semiconductor and eventually a metal having a potential of superconductivity.

引用

页码：25677 / 25683

页数：7