On the electronic structure of paramagnetic NicPt1-calloys: a relativistic calculation

Abstract

The authors have studied the electronic structure of paramagnetic Ni_cPt_1-c random substitutional alloys using the relativistic generalisation of the Korringa-Kohn-Rostoker coherent potential approximation (R KKR CPA) and a first-principles but not self-consistent crystal potential. Spectral functions as well as fully and partially averaged densities of states were calculated. They find a complex set of well defined bands and a Fermi surface which changes subtly with concentration. The results agree with the scant photoemission measurements on these alloys and suggest a number of new effects which could be observed in further experiments. However, they are unable to account for the very broad peak in the linear coefficient of the specific heat near the critical concentration for the occurrence of ferromagnetism. They suggest that this peak is due to spin disorder scattering.