Diffusion and Growth on Strained Surfaces

Abstract

Using an empirical tight binding potential, we study the strain dependence of hopping and exchange di usion barriers for Platin on the unreconstructed Pt (100) surface. Also, adatom binding energies and Ehrlich-Schwoebel barriers are calculated as a function of substrate strain . By analysing the above quantities, we predict that for the growth of Pt on Pt(100) Layer by Layer growth should be improved under compressive strain.

Kinetic Monte Carlo simulations of dislocations in heteroepitaxial growth

“…There are two possible events in our simulations: deposition and hopping diffusion of adsorbate particles. As calculated by Schindler [9], in Lennard-Jones systems the activation barriers for exchange diffusion are up to three times higher than those for hopping diffusion. As our simulations take place at a relatively low temperature, hopping diffusion can therefore be considered as the preferred diffusion mode and for the sake of simplicity exchange diffusion is completely neglected.…”

“…Here, we propose a KMC algorithm for the simulation of the early stages of heteroepitaxial growth. In contrast to similar off-lattice algorithms suggested before -for example, by Faux et al [6,7] , Plotz et al [8] or Schindler [9]-we are able to simulate heteroepitaxial growth for rather thick adsorbate layers and over a wide range of the misfit between the lattice constants of the substrate and the adsorbate.…”