The effects of electromigration in metal thin films was studied by means of atomistic Monte Carlo simulations. The simulator was based on a model of atom diffusion particularly suited to deal with polycrystalline three-dimensional films. Interatomic interactions were estimated by means of a simplified Morse potential while the driving force exerted by the charge carrier flux was represented as a perturbation on the diffusion activation barrier. The local current density was calculated using an equivalent resistor network. The results of simulated stress applied to various samples including a triple point were presented demonstrating the possibility of reproducing the initial stage of void formation with an atomistic model.

Three-Dimensional Monte Carlo Simulations of Electromigration in Polycrystalline Thin Films. P.Bruschi, A.Nannini, M.Piotto: Computational Materials Science, 2000, 17[2-4], 299-304