The growth of mismatched thin films was investigated by means of kinetic Monte Carlo computer simulations. Strain was introduced via an elastic energy term that was based upon a valence force field approximation, and the stress was relaxed along atomic chains at each step of the simulation. The calculations used a set of elementary atomic processes which included, as well as standard processes, the collective incorporation of atoms. This led to the introduction of a new so-called hanging position, with only 1 bond created towards the substrate; contrary to the case of solid-on-solid models. This position played a role in defect initiation.

Beyond the Solid-on-Solid Model: an Atomic Dislocation Formation Mechanism. J.D.Torre, M.D.Rouhani, R.Malek, D.Estève, G.Landa: Journal of Applied Physics, 1998, 84[10], 5487-94