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Two-dimensional dumbbell (DB) stanene has been proposed as a promisingcandidate material for realizing quantum spin Hall effect (QSHE) by Tang et al[P. Tang, P. Chen, W. Cao, H. Huang, S. Cahangirov, L. Xian, Y. Xu, S. C.Zhang, W. Duan, A. Rubio. Phys. Rev. B, 90, 121408 (2014)]. However, the smallbulk-gap limits its possible applications at room temperature. Based onfirst-principles calculations, we predict that its band gap can be enhanced to148 meV under methyl-functionalization, which can be further tuned by applyinglattice strain. The QSHE is confirmed by s-px,y band inversion, topologicalinvariant Z2 = 1, and helical gapless edge within bulk band gap. Notably, thecharacteristic properties of edge states, such as the large Fermi velocity andDirac cone, can be modulated by edge modification. The effects of substrates ontopological properties are explored when it is grown on various substrates,like SiC, h-BN, and Bi2Te3 sheets. These findings provide significant guidancefor future fabrication and realistic applications of QSHE based on stanene inspintronics.

Large-gap quantum spin Hall state in functionalized dumbbell stanene