Surface relaxation of topological insulators: Influence on the electronic structure

被引：39

作者：

Fukui, N. ^{[1
]}

Hirahara, T. ^{[1
]}

Shirasawa, T. ^{[2
]}

Takahashi, T. ^{[2
]}

Kobayashi, K. ^{[3
]}

Hasegawa, S. ^{[1
]}

机构：

[1] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan

[2] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan

[3] Ochanomizu Univ, Dept Phys, Bunkyo Ku, Tokyo 1128610, Japan

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 11期

基金：

日本学术振兴会;

关键词：

SINGLE DIRAC CONE; BI2TE3; LEED;

D O I：

10.1103/PhysRevB.85.115426

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The surface structure of topological insulators Bi2Te3(111) and a single bilayer bismuth on it was studied by low-energy electron-diffraction analysis. The topmost quintuple layer of Bi2Te3 showed only a slight relaxation (similar to 1% contraction). On the other hand, the bilayer Bi was strongly distorted compared to bulk Bi (3.5% in-plane contraction and similar to 7% out-of-plane expansion). First-principles calculation reveals that this distortion has a large influence on the electronic structure and can enlarge the band gap.

引用

页数：4

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