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Exploration and prediction of topological electronic materials based on first-principles calculations

Published online by Cambridge University Press:  15 October 2014

Hongming Weng ,
Xi Dai  and
Zhong Fang
Hongming Weng
Affiliation:
Institute of Physics, Chinese Academy of Sciences, China; hmweng@iphy.ac.cn
Xi Dai
Affiliation:
Institute of Physics, Chinese Academy of Sciences, China; daix@aphy.iphy.ac.cn
Zhong Fang
Affiliation:
Institute of Physics, Chinese Academy of Sciences, China; zfang@aphy.iphy.ac.cn
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Abstract

The class of topological insulator materials is one of the frontier topics of condensed matter physics. The great success of this field is due to the conceptual breakthroughs in theories for topological electronic states and is strongly motivated by the rich variety of material realizations, thus making the theories testable, the experiments operable, and the applications possible. First-principles calculations have demonstrated unprecedented predictive power for material selection and design. In this article, we review recent progress in this field with a focus on the role of first-principles calculations. In particular, we introduce the Wilson loop method for the determination of topological invariants and discuss the band inversion mechanism for the selection of topological materials. Recent progress in quantum anomalous Hall insulators, large-gap quantum spin Hall insulators, and correlated topological insulators is also covered.

Keywords

electronic structuresimulationHall effectspintronic
Type
Research Article
Information
MRS Bulletin , Volume 39 , Issue 10: Topological Insulators , October 2014 , pp. 849 - 858
Copyright
Copyright © Materials Research Society 2014 

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