Tight-binding models for two-dimensional allotropes of bismuth-based on localized Wannier functions*

Bismuth and bismuth-based compounds have played critical roles in the development of topological band theories and topological electronic devices. We have constructed tight-binding models based on the Wannier basis derived from first principles calculations to investigate the electronic structure of two-dimensional bismuth allotropes. We have successfully captured the electronic and topological features of the three types of two-dimensional bismuth allotropes (Bi(111) bilayer, Bi (110) bilayer and planar bismuthene) with minimum number of tight-binding parameters. We have demonstrated the importance of the connections between crystalline symmetries and band topology. Moreover, we have extended our approach to other similar two-dimensional topological materials. We expect these simple but accurate tight-binding models can help to effectively investigate the transport behavior in two-dimensional electronic devices.