Energy band of hexagonal FeGe via the augmented plane wave method

Abstract

The results of a nonspin polarized band calculation of the compound FeGe in its hexagonal phase B-35 are presented. The energy bands were obtained via the APW method and the energies were evaluated at 100 points in the first Brillouin zone. Slater's free-electron approximation for the exchange operator was used. The density of states histogram was constructed for a grid in the energies of 0.03 Ryd.