Lattice dynamics of noble and transition metals

Abstract

A simple model for the calculation of the phonon dispersion curves of the noble and transition metals is proposed. The model uses the concept of a rigid shell moving relative to its nucleus to simulate the response of the d electrons to the nuclear motion, short range central forces for the interaction between the ion cores, and a screened pseudopotential for the conduction electron response. The most general form of the model considered for f.c.c. metals contains six parameters, three of which may be obtained from the adiabatic electric constants and the remainder from a least square fit to the experimental frequencies. Preliminary applications of the model containing five parameters made for copper and nickel have resulted in fits to the experimental dispersion curves which are within 2 and 2.5%, respectively.