We have performed an atomic scale simulation of (100) thin films heteroepitaxial growth of semiconductors with zincblende structure by associating a Monte Carlo technique with an energy model based on the valence force field approximation. It is shown that grooves showing (111) facets are formed in the early stages of the growth owing to enhanced interlayer migrations. The strain relief can be achieved within a few atomic layers, in agreement with experimental observations.
Sahlaoui, M., Rouhani, M. D., Estève, D., & Ayadi, A. (1999). Strained semiconductors structures: Simulation of the thin films heteroepitaxial growth. Applied Surface Science, 151(3), 218–224. https://doi.org/10.1016/S0169-4332(99)00276-7