Lattice Dynamics of Some Fcc F-Shell Metals

A model pseudopotential depending on an effective core radius but otherwise parameter free is used to study the binding energy, equation of state, ion-ion interaction, phonon dispersion curves (q-space and r-space analysis), phonon density of states, Debye temperature, mode Grüneisen parameters, dynamical elastic constants, Debye-Waller factor, mean-square displacement, Debye-Waller temperature parameter and propagation velocities of elastic waves of some fcc f-shell metals La, Yb, Ce, and Th. The contribution of the s-like electrons is calculated in the second-order perturbation theory for the model potential while d- and f-like electron is taken into account by introduction of repulsive short-range Born-Mayer term. Very recently proposed screening function due to Sarkar et al. has been used to obtain the screened form factor. The parameter of the potential is evaluated by zero pressure condition. Which is independent of any fitting procedure. An excellent agreement between theoretical investigations and experimental findings prove the ability of the potential for d- and f-shell metals exclusively.