Comprehensive study of lattice mechanical properties of some FCC transition metals

A model pseudopotential depending on an effective core radius but otherwise parameter free is proposed to study the equation of state, binding energy, interatomic interactions, phonon dispersion curves (in q and r-space analysis), Phonon density of states, mode Gruneisen parameters, maximum frequency omega(max), mean frequency <omega>, <omega(2)>(1/2) = (<omega>/<omega(-1)>)(1/2), fundamental frequency <omega(2)> and dynamical elastic constants of Cu, Ag, Au, Ni, Pd, Pt, Rh and In The contribution of s-like electrons is calculated in the second-order perturbation theory for the model potential while that of d-like electrons is taken into account by introducing repulsive short range Born-Mayer like term. The theoretical results are compared with experimental findings wherever possible. A good agreement between theoretical investigations and experimental findings has confirmed our formulation. (C) 2002 Elsevier Science B.V. All rights reserved.