Band structure of silicene in the tight binding approximation

Abstract

The electronic structure of silicene is simulated by the tight binding method with the basis sp3d5s*. The results are in good agreement with ab initio calculations. The effective Hamiltonian of silicene in the vicinity of the Dirac point is constructed by the method of invariants. Silicon atoms in silicene are located in two parallel planes displaced perpendicularly to each other by Δz; the energy spectrum essentially depends on this displacement. Using the tight binding technique, the coefficients of the effective Hamiltonian are determined for various values of Δz.