Phase‐Field modeling of semiconductor heteroepitaxy: elastic relaxation, surface energy minimization and intermixing

A phase‐field model allowing for the simulation of heteroepitaxial growth in semiconductors is developed. Both material deposition, mimicking Molecular Beam Epitaxy conditions, and surface diffusion, driven by the thermodynamic tendency toward free‐energy minimization, are taken into account. The typical Stranski‐Krastanow growth is investigated by considering the balance between surface energy, misfit strain and wetting effects. Additional contributions including substrate patterning, anisotropic surface energy and intermixing are introduced for a more realistic treatment. The finite element method is exploited for an accurate numerical solution. Simulation results are compared with experimental data.