Electronic structure of magnetic impurities in copper

Abstract

We show that the anomalously small impurity exchange splittings obtained from previously reported multiple-scattering Xα cluster calculations for the dilute alloys CuM (M represents a 3d transition metal) were due to incomplete convergence to self-consistency. Proper self-consistent calculations produce exchange splittings that are in excellent agreement with other calculations, which we illustrate with CuMn. We compare in detail the results of our calculations with those obtained with other approaches and discuss briefly the role of many-body effects in the CuM alloy series.