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- Title
Gallium bismuth halide GaBi-X (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators.
- Authors
Li, Linyang; Leenaerts, Ortwin; Kong, Xiangru; Chen, Xin; Zhao, Mingwen; M. Peeters, François
- Abstract
Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X monolayers with a chair structure. Remarkably, the DHF GaBi-X monolayers are all QSH insulators, which exhibit sizeable nontrivial bandgaps ranging from 0.17 to 0.39 eV. The bandgaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone.
- Publication
Nano Research, 2017, Vol 10, Issue 6, p2168
- ISSN
1998-0124
- Publication type
Article
- DOI
10.1007/s12274-017-1464-z