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Quantum Spin Hall (QSH) insulators with a large topologically nontrivial bulkgap are crucial for future applications of the QSH effect. Among these, groupIII-V monolayers and their halides with chair structure (regular hexagonalframework, RHF) were widely studied. Using first-principles calculations, wepropose a new structure model for the functionalized group III-V monolayers,which consist of rectangular GaBi-X2 (X=I, Br, Cl) monolayers with a distortedhexagonal framework (DHF). These structures have a much lower energy than theGaBi-X2 monolayers with chair structure. Remarkably, the DHF GaBi-X2 monolayersare all QSH insulators, which exhibit sizeable nontrivial band gaps rangingfrom 0.17 eV to 0.39 eV. Those band gaps can be widely tuned by applyingdifferent spin-orbit coupling (SOC) strengths, resulting in a distorted Diraccone.

Gallium Bismuth Halides GaBi-X2 (X= I, Br, Cl) Monolayers with Distorted Hexagonal Framework: Novel Room-Temperature Quantum Spin Hall Insulators