Papers by Author: Pierre Beauchamp

Abstract: Atomistic simulations using both semi-empirical potential and first principles calculation have been performed to study the initiation of plasticity near surface steps in silicon. A comparison of both techniques on a prototypic case shows qualitative and quantitative agreement. Then each method has been used to analyze in detail some characteristics of the surface step: the step geometry thanks to semi-empirical potential calculations, and the step reactivity with ab initio techniques.