Consistent Treatment of Symmetry in the Tight Binding Approximation

Abstract

The form of Hamiltonian matrix components in the tight binding approximation are deduced group‐theoretically taking into account the space symmetry of the problem, time‐reversal symmetry and hermiticity of the Hamiltonian. This method enables the calculations for any complicated crystal structure, when the spin is included respectively not regarded. Calculations for hexagonal close‐packed structure illustrate the procedure.