Spin-polarized electronic band structures of the Fe4N-Co4N system

► Calculated spin-polarized electronic band structures of cubic antiperovskite metal nitrides. ► All calculations were by the full-potential method. ► Obtained densities of states and spin-polarized electronic energy bands of Fe4N, Fe3CoN, FeCo3N, and Co4N. ► FeCo3N has an energy gap of 0.2 eV at the Fermi level and hence half-metallic behavior.