Electron momentum density and Compton profile in disordered alloys

Abstract

We present a brief overview of the Korringa–Kohn–Rostoker coherent potential approximation (KKR-CPA) formalism as it applies to the problem of obtaining the average momentum density and Compton profile in a disordered alloy; the electron correlations are treated within the local spin density (LSD) approximation. The applicability of such a KKR-CPA-LSD approach to non-magnetic as well as magnetic systems is illustrated by considering several recent studies which include: Li-rich LiMg, Al-rich AlLi, the cubic perovskites Ba 1− x K x BiO 3 and BaPb x Bi 1− x O 3, and the Ni-rich NiCu and NiCo magnetic alloys. These examples highlight the interplay between effects of electron correlations and disorder on the one hand, and between changes in the Fermi surface topology and the onset of various phase transformations on the other.