The electronic structure and phase diagrams of binary alloys with complex lattices: I. The application of static concentration waves and pseudopotential methods for calculating the phase diagrams

Abstract

AbstractIt is shown that the structures of the ordered phases in binary alloys with complex Ising lattice (made up by the α‐Bravais lattices displaced with respect to each other) can be determined theoretically by means of the static concentration wave (s.c.w.) method and pseudopotential theory. The expression which gives the relationship between the phenomenological parameters of the s.c.w. method and the energy‐wavenumber characteristicof thepseudopotential theory is obtained. The superstructures which may be stable with respect to the formation of an antiphase boundary structure is obtained for the hexagonal close‐packed lattice.