We put forward a tight-binding model for rhombohedral topological insulators materials with the space group $D^{5}_{3d}(R\bar{3}m)$. The model describes the bulk band structure of these materials over the whole Brillouin… Click to show full abstract
We put forward a tight-binding model for rhombohedral topological insulators materials with the space group $D^{5}_{3d}(R\bar{3}m)$. The model describes the bulk band structure of these materials over the whole Brillouin zone. Within this framework, we also describe the topological nature of surface states, characterized by a Dirac cone-like dispersion and the emergence of surface projected bulk states near to the Dirac-point in energy. We find that the breaking of the $R_{3}$ symmetry as one moves away from the $\Gamma$ point has an important role in the hybridization of the $p_x$, $p_y$, and $p_z$ atomic orbitals. In our tight-binding model, the latter leads to a band mixing matrix element ruled by a single parameter. We show that our model gives a good description of the strategies/mechanisms proposed in the literature to eliminate and/or energy shift the bulk states away from the Dirac point, such as stacking faults and the introduction of an external applied electric field.
               
Click one of the above tabs to view related content.