The growth of mismatched thin films was investigated by using kinetic Monte Carlo computer simulations. Strain was introduced via an elastic energy term which was based upon a valence force-field approximation, and the stress was relaxed along so-called 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 one bond created towards the substrate; contrary to solid-on-solid models. This position played the role of defect nucleus, and an associated atomic dislocation nucleation mechanism was proposed. The influence of steps in dislocation creation was also considered.

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