First-Principles Study of Surface States of Bi2Te3

被引：0

作者：

Park, Kyungwha ^{[1
]}

机构：

[1] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA

来源：

15TH INTERNATIONAL CONFERENCE ON NARROW GAP SYSTEMS (NGS15) | 2011年 / 1416卷

关键词：

topological insulators; surface states; spin-orbit coupling; density-functional theory; TOTAL-ENERGY CALCULATIONS; TOPOLOGICAL INSULATOR;

D O I：

10.1063/1.3671686

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Bi2Te3 is a topological insulator with time reversal symmetry possessing a single Dirac cone at a given surface. The surface states of topological insulators play a critical role in exotic physical phenomena and their applications. We investigate the surface states of thin films of Bi2Te3(111) using density-functional theory including spin-orbit coupling. Considering one to six quintuple layers (QLs) of Bi2Te3 films, we identify the surface states from calculated band structures using the decay length of the surface states and electron density plots. We show that the films of 1 and 2 QLs are too thin to hold the surface states protected topologically, and that for thicker films bands identified as surface states at (Gamma) over bar lose their surface-state features away from (Gamma) over bar. This method can be applied to other topological insulators.

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页码：14 / 18

页数：5

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