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Kinetic Monte Carlo simulation of faceted islands in heteroepitaxy using multi-state lattice model

A solid-on-solid model is generalized to study the formation of Ge pyramid islands bounded by (105) facets on Si(100) substrates in two dimensions. Each atomic column is not only characterized by the local surface height but also by two deformation state variables dictating the local surface tilt and vertical extension. These deformations phenomenologically model surface reconstructions in (105) facets and enable the formation of islands which better resemble faceted pyramids. We demonstrate the model by application to a kinetic limited growth regime. We observe significantly reduced growth rates after faceting and a continuous nucleation of new islands until overcrowding occurs.