Energy band structure of aluminium by the augmented plane wave method

Abstract

The band structure of metallic aluminium has been calculated by the augmented plane wave method. The energy values and wave functions were computed for the equivalent of 2048 points in the Brillouin zone and for energies ranging from the bottom of the conduction band (3s, 3p) to approximately 0.4 Ry above the Fermi energy. The density of states and the Fermi energy were determined using a variant of an accurate method developed by Gilat and Rauben heimer (Phys. Rev.144 (1966), 390). The results are discussed and compared with earlier results.