The application of the analytic embedded atom potentials to alkali metals

Analytic modified embedded atom method type many-body potentials have been constructed for alkali metals. The bcc lattice is shown to be energetically most stable when compared with fcc and ideal hcp structures. The phonon dispersion curves, density of states, Debye temperature, heat capacity, surface energy and thermal expansion properties of these metals are calculated, which are comparable to experimental and other theoretical results. The properties of point defects, such as vacancy, divacancy, and self-interstitial atoms, have also been evaluated with these potentials, and the diffusion mechanism in alkali metals are discussed.