Electronic structure of noble (or transition) metal based alloys: charge oscillations, Knight shifts and pair interaction energies

Publisher Website
Google Scholar
Abstract
The electronic structure is calculated, of noble or transition metal based alloys with transitional impurities, using an hybridized tight binding and nearly free electron (TB-NFE) model for the host. In this Hartree-Fock model for which parameters appear only in the host band structure, the author studies selfconsistently the screening of one isolated impurity and of two nth neighbouring impurities (n=1,...,4) in copper. The results are compared with those deduced in the Friedel-Anderson model from the asymptotic approximation: the charge oscillations and the spin polarizations on the nearest neighbours around an impurity cannot be rigorously obtained by the previous asymptotic approximation which does not take into account the selection rules required by the crystal symmetry.

This publication has 26 references indexed in Scilit: