Abstract

A new formalism for calculating multilayer relaxation is presented. The method is suitable for short-range potentials. The best results for α-iron have been achieved with an empirical model consisting of an effective pair potential with non-central corrections and a linear volume dependent term. The model reproduces the elastic constants and predicts well the damped oscillatory character of surface relaxation in α-iron. In addition, it can ensure equilibrium in the bulk crystal and at the surface, simultaneously.

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