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Simulation of surface morphology and defects in heteroepitaxied thin films

We have performed atomic scale simulations of heteroepitaxial growth of thin films using the valence force field approximation and Monte Carlo techniques. The case of CdTe/(001)GaAs is considered. Our simulations indicate valley formation presenting (111) facets with unstable bottoms in the early stages of the growth. This roughening is a source of dislocation, as it appears to relax the elastic energy of the deposited layers by formation of V-grooves. We have used a calculated RHEED as an in situ control of deposited layers. Finally, we present the influence of an imperfect surface in the morphology of the deposited films.