Topological phases in the TaSe3 compound

被引：48

作者：

Nie, Simin ^{[1
]}

Xing, Lingyi ^{[2
]}

Jin, Rongying ^{[2
]}

Xie, Weiwei ^{[3
]}

Wang, Zhijun ^{[4
]}

Prinz, Fritz B. ^{[1
]}

机构：

[1] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA

[2] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA

[3] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA

[4] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA

来源：

PHYSICAL REVIEW B | 2018年 / 98卷 / 12期

基金：

美国国家科学基金会; 中国国家自然科学基金;

关键词：

TRANSITION-METAL TRICHALCOGENIDES; TOTAL-ENERGY CALCULATIONS; CHARGE-DENSITY-WAVE; BASIS-SET; NBSE3; SUPERCONDUCTOR; INSULATOR;

D O I：

10.1103/PhysRevB.98.125143

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Based on first-principles calculations, we show that stoichiometric TaSe3, synthesized in space group P2(1)/m, belongs to a three-dimensional strong topological insulator (TI) phase with Z(2) invariants (1; 100). The calculated surface spectrum shows clearly a single Dirac cone on surfaces, with helical spin texture at a constant-energy contour. To check the stability of the topological phase, strain effects have been systematically investigated, showing that many topological phases survive in a wide range of the strains along both the a and c axes, such as strong TI, weak TI, and Dirac semimetal phases. TaSe3 provides us an ideal platform for experimental study of topological phase transitions. More interestingly, since superconductivity in TaSe3 has been reported for a long time, the coexistence of topological phases and a superconducting phase suggests that TaSe3 is a realistic system to study the interplay between topological and superconducting phases in the future.

引用

页数：6

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