Adatom self-diffusion on the re-bonded step reconstructed Ge(105) surface was investigated. Activation energies for several paths were computed ab initio by using the nudged elastic band method, and these were used as input parameters for kinetic Monte Carlo simulations. It was shown that the re-bonded step reconstruction strongly influenced the adatom kinetics, which were fast at typical experimental temperatures, along both the [010] and [501] directions. The influence of strain upon diffusion was also investigated. The results were shown to be relevant to the understanding of Ge pyramid growth on Si(001).

Fast Isotropic Adatom Diffusion on Ge(105) Dot Facets. F.Montalenti, D.B.Migas, F.Gamba, L.Miglio: Physical Review B, 2004, 70[24], 245315