Quantum size effects in metallic overlayer epitaxy

Ab-initio total energy calculations have been performed to study the stability and electronic structure of epitaxial Sb and close-packed Ag films on GaAs(110) surfaces. These are model metal-semiconductor systems that have been studied extensively experimentally. The method used is density functional theory within the pseudopotential approximation. These calculations provide information on the relaxation and structure of the Sb and Ag surface layers and the stability of the metal films as a function of the number of metal layers.