Influence of surface stress on the equilibrium shape of strained quantum dots

Abstract

The equilibrium shapes of InAs quantum dots (i.e., dislocation-free, strained islands with sizes $>~10000$ atoms) grown on a GaAs (001) substrate are studied using a hybrid approach that combines density functional theory (DFT) calculations of microscopic parameters, surface energies, and surface stresses with elasticity theory for the long-range strain fields and strain relaxations. In particular we report DFT calculations of the surface stresses and analyze the influence of the strain on the surface energies of the various facets of the quantum dot. The surface stresses have been neglected in previous studies. Furthermore, the influence of edge energies on the island shapes is briefly discussed. From the knowledge of the equilibrium shape of these islands, we address the question whether experimentally observed quantum dots correspond to thermal equilibrium structures or if they are a result of growth kinetics.