Influence of the Ge-Sb sublattice atomic composition on the topological electronic properties of Ge2Sb2Te5

被引：12

作者：

Silkin, I. V. ^{[1
]}

Koroteev, Yu. M. ^{[1
,2
]}

Bihlmayer, G. ^{[3
,4
]}

Chulkov, E. V. ^{[5
,6
]}

机构：

[1] Tomsk State Univ, Tomsk 634050, Russia

[2] Russian Acad Sci, Inst Strength Phys & Mat Sci, Siberian Branch, Tomsk 634021, Russia

[3] Forschungszentrum Julich GmbH, Inst Festkorperforsch, D-52425 Julich, Germany

[4] Forschungszentrum Julich GmbH, Inst Adv Simulat, D-52425 Julich, Germany

[5] Univ Basque Country, Donostia Int Phys Ctr, San Sebastian 20080, Spain

[6] Univ Basque Country, CFM, Ctr Mixto CSIC UPV EHU, Dept Fis Mat, San Sebastian 20080, Spain

来源：

APPLIED SURFACE SCIENCE | 2013年 / 267卷

关键词：

Electronic structure; Density functional theory; Topological insulator; Topological invariant; Atomic composition; INSULATORS; STATES;

D O I：

10.1016/j.apsusc.2012.09.017

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：

We present ab initio calculations of an electronic structure and a topological invariant nu(0) of the Ge2Sb2Te5 compound. We have found that in the case of equiatomic composition of Ge/Sb layers the Ge2Sb2Te5 compound is the topological insulator. The nu(0) invariant does not depend on a specific location of Ge and Sb atoms in the mixed layers, and depends only on their concentration. The variation of the concentration in the Ge/Sb layers leads to a change of the topological invariant of the compound. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：169 / 172

页数：4

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