Electronic Structure Ni–Pd Alloys Calculated by the Self-Consistent KKR–CPA Method

Abstract

The electronic structure of disordered Ni–Pd alloys is investigated by means of the KKR method which is combined with the CPA and the local-spin-density approximation. Good overall agreements with the measurements are obtained for the magnetic moment distribution and for the hyperfine field at Ni nucleus. The origins of the large magnetic moment at Ni site (∼1.2 μ_B) and the positive hyperfine field on the Ni nucleus, both in Pd-rich region, are discussed in the light of the present calculation which can reproduce them quantitatively.