A MODEL PSEUDOPOTENTIAL TECHNIQUE FOR CALCULATING SOME PHYSICAL PROPERTIES OF METALS

Abstract

A Wigner-Seitz cell dependent 'relaxed core' model pseudopotential is developed from first principles consideration of the stationary state perturbation theory and the free electron gas approximation. The Fourier transform of the local potential is evaluated and applied within existing theoretical frameworks in calculating the form factors, binding energy, monovacancy resistivity and paramagnetic spin susceptibility of metals under a scheme that requires no fittings to experimental data. In all these calculations, the screening due to the electron gas is accounted for through the modified Hartree dielectric function. The results obtained in these calculations are in good agreement with experimental values and show a general improvement on the results of previous researches.