Abstract

Inspired by the discovery of graphene, various two‐dimensional (2D) materials have been experimentally realized, which exhibit novel physical properties and support promising applications. Exotic topological states in 2D materials (including quantum spin Hall and quantum anomalous Hall insulators), which are characterized by nontrivial metallic edge states within the insulating bulk gap, have attracted considerable attentions in the past decade due to their great importance for fundamental research and practical applications. They also create a surge of research activities and attract extensive efforts to search for new topological materials in realistic 2D/quasi‐2D systems. This review presents a comprehensive survey of recent progress in designing of topological states in quasi‐2D materials, including various quantum well heterostructures and 2D atomic lattice structures. In particular, the possibilities of constructing topological nontrivial states from commonly used materials are discussed and the ways of enlarging energy gaps of topological states and realizing different topological states in a single material are presented. WIREs Comput Mol Sci 2017, 7:e1296. doi: 10.1002/wcms.1296This article is categorized under: Structure and Mechanism > Computational Materials Science

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