CALCULATIONS OF SELF-DIFFUSION ACTIVATION-ENERGIES FOR ALKALINE-METALS WITH EMBEDDED-ATOM METHOD

Calculations were performed for the self-diffusion activation energies of monovacancy and both formation and binding energies of divacancies for alkaline metals Li, Na, K, Rb, Cs using the embedded atom method (EAM) model for bcc transition metals developed by the authors recentl y. The aim of the paper is to extend the application of the new model, to compare the calculated values for self-diffusion with the experime ntal data and those of previous calculations, and to discuss the intri nsic characteristic of self-diffusion in alkaline metals. The calculat ed monovacancy migration energies and activation energies are in excel lent agreement with experimental data, and the calculated divacancy mi gration and activation energies are in good agreement with the experim ental values available.