Crystal-field effect in the determination of the dipole force tensor in transition-metal based alloys

Abstract

The dipole force tensor P resulting from the presence of one impurity in transition metals is formally given in terms of the exponential fall-off with distance of the crystal field and hopping integrals of the alloy. Whereas the term arising from the variation of the crystal field integrals is generally neglected in usual calculations, the aim of the present work is to include it. A sum rule deduced from charge conservation through atomic movement leads to a relation between the variation of the tight-binding crystal-field integrals and the hopping integrals.