Published online by Cambridge University Press: 21 February 2011
In the past simulations of epitaxial growth have used solid-on-solid (SOS) models to simulate the crystalline structure of both the substrate and the growing crystal. These models have produced results in the early stages of growth in good agreement with experiments for a number of different quantities, including the island density and the island size distribution. For multilayer growth, however, there exists a competition between microscopic effects such as the Ehrlich-Schwoebel step barrier and the crystalline microstructure. Therefore, the crystal structure and geometry are important in determining the dynamics and evolution of epitaxial structure and morphology. We present the results of large-scale realistic kinetic Monte-Carlo simulations of multilayer epitaxial growth on fcc(100) and bcc(100) surfaces. The influence of crystal structure on the formation and coarsening of mounds and facets is discussed. We also discuss and compare our results with recent experiments.