Crystal equilibrium and lattice dynamics of face-centered cubic metals

Abstract

A lattice dynamical model that assumes short range pairwise forces effective up to second nearest neighbours and electron–ion interaction on the lines of Bhatia is considered to study the crystal dynamics of fcc metals. The authors consider an appropriate value of the screening parameter and the band structure effects have been introduced in a satisfactory manner in the present calculations. The volume force is averaged over the whole Wigner–Seitz sphere. The ionic lattice is in equilibrium in a medium of electrons. The present theory has been satisfactorily applied to compute dispersion curves, Debye characteristic temperatures, and temperature dependence on the Debye–Waller factors of thorium.