标题:Gallium bismuth halide GaBi-X-2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators
作者:Li, Linyang; Leenaerts, Ortwin; Kong, Xiangru; Chen, Xin; Zhao, Mingwen; Peeters, Francois M.
作者机构:[Li Linyang] Department of Physics, University of Antwerp, Groenenborgerlaan 171, Antwerp B-2020, Belgium.;[Leenaerts Ortwin] Department of Physics, U 更多
通讯作者:Li, Linyang(linyang.li@uantwerpen.be)
通讯作者地址:[Li, LY; Leenaerts, O; Peeters, FM]Univ Antwerp, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium;[Kong, XR]Peking Univ, Int Ctr Quantum Mat, 更多
来源:纳米研究
出版年:2017
卷:10
期:6
页码:2168-2180
DOI:10.1007/s12274-017-1464-z
关键词:quantum spin Hall (QSH) insulators; first-principles calculations;; GaBi-X-2 (X = I, Br, Cl) monolayers; distorted hexagonal framework;; distorted Dirac cone
摘要: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-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone.
收录类别:EI;CSCD;SCOPUS;SCIE
WOS核心被引频次:4
Scopus被引频次:5
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85017121667&doi=10.1007%2fs12274-017-1464-z&partnerID=40&md5=8520b10ba90c2da175f791cc9a6fb7b5
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