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Author Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M. pdf  doi
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  Title Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators Type A1 Journal article
  Year (down) 2017 Publication Nano Research Abbreviated Journal Nano Res  
  Volume 10 Issue 10 Pages 2168-2180  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  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-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.  
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  Language Wos 000401320700029 Publication Date 2017-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1998-0124 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.354 Times cited 15 Open Access  
  Notes ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; Approved Most recent IF: 7.354  
  Call Number UA @ lucian @ c:irua:143739 Serial 4598  
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