Electronic band structure of α-brass

Abstract

The Kohn-Rostoker method has been used to determine the energy bands, within the virtual-crystal approximation, of α-brass. The conduction-band energies have been determined at the points Γ, X, and L for a range of zinc concentrations. The averaged effective potential to be placed at the lattice sites of the equivalent crystal is computed from realistic considerations, and results are compared with experiments and other theoretical results. Discrepancies between computed and experimental values reflect the inadequacies of the virtual-crystal model.