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Published online by Cambridge University Press: 10 February 2011
We discuss simulators of the deposition of metal films onto substrates containing vias and trenches. Our Monte Carlo simulations of Al are based on extensive first-principles and molecular dynamics (MD) data for atomic-level energetics and transport rates. We find that surface mobilities are highly anisotropic, and that this has a pronounced influence on film morphology. We have investigated the effects of faceting and grain boundary grooving on step coverage, together with the variation of morphology with deposition rate, temperature, and length scale. Mass transport across low index facets is extremely slow near equilibrium, and this can inhibit the smoothening of surfaces and the elimination of depressions during annealing. The MC model also predicts grain structures during polycrystalline film formation, and the generation of preferred crystallographic orientations (texture). We present MC simulations for a range of conditions, and provide comparisons with experiments on the sputter deposition of Al and TiN films. Results from the MC model are being incorporated into a continuum model based on level-set methods, and we expect that this will form the basis for a simulator that can efficiently explore a wide range of conditions.