Novel Family of Chiral-Based Topological Insulators: Elemental Tellurium under Strain

被引：146

作者：

Agapito, Luis A. ^{[1
]}

Kioussis, Nicholas ^{[1
]}

Goddard, William A., III ^{[2
]}

Ong, N. P. ^{[3
]}

机构：

[1] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA

[2] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA

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

来源：

PHYSICAL REVIEW LETTERS | 2013年 / 110卷 / 17期

基金：

美国国家科学基金会;

关键词：

SINGLE DIRAC CONE; GAP; PRESSURE; SE;

D O I：

10.1103/PhysRevLett.110.176401

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Employing ab initio electronic structure calculations, we predict that trigonal tellurium consisting of weakly interacting helical chains undergoes a trivial insulator to strong topological insulator (metal) transition under shear (hydrostatic or uniaxial) strain. The transition is demonstrated by examining the strain evolution of the band structure, the topological Z(2) invariant and the concomitant band inversion. The underlying mechanism is the depopulation of the lone-pair orbitals associated with the valence band via proper strain engineering. Thus, Te becomes the prototype of a novel family of chiral-based three-dimensional topological insulators with important implications in spintronics, magneto-optics, and thermoelectrics. DOI: 10.1103/PhysRevLett.110.176401

引用

页数：5

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