Atomistic Monte Carlo simulations of three-dimensional polycrystalline thin films

An atomistic Monte Carlo code to simulate the deposition and annealing of three-dimensional polycrystalline thin films is presented. Atoms impinge on the substrate with selected angular distributions, and grains are nucleated with different crystalline orientations, defined by the tilt and rotation angles. Grain boundaries appear naturally when the islands coalesce, and can migrate during both deposition and annealing simulations. In this work we present simulations of aluminum films. We examine the influence of the temperature, deposition rate, and adhesion to the substrate on the morphology of polycrystalline thin films. The simulations provide insight into the dominant microscopic mechanisms that drive the structure evolution during thin film processing. (C) 2003 American Institute of Physics.