Abstract
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 Grüneisen parameters, maximum frequency ω max, mean frequency 〈 ω〉, 〈 ω 2〉 1/2=(〈 ω〉/〈 ω −1〉) 1/2, fundamental frequency 〈 ω 2〉 and dynamical elastic constants of Cu, Ag, Au, Ni, Pd, Pt, Rh and Ir. 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.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call