Lattice Monte Carlo models of thin film deposition

Monte Carlo models of crystal growth have contributed to the theoretical un derstanding of thin film deposition, and are now becoming available as tool s to assist in device fabrication. Because they combine efficient computati on and atomic-level detail, these models can be applied to a large number o f crystallization phenomena. They have played a central role in the underst anding of the surface roughening transition and its effect on crystal growt h kinetics. Ln addition, columnar growth, vacancy and impurity trapping, an d other growth phenomena that are closely related to atomic-level structure have been investigated by these simulations. in this chapter we review som e of these applications and discuss MC modeling of sputter deposition based on materials parameters derived from first principles and molecular dynami cs methods. We discuss models of deposition which include the atomic scale, but can also simulate film structure evolution on time scales of the order of hours. By the use of advanced computers and algorithms, we can now simu late systems large enough to exhibit clustered, columnar, and polycrystalli ne film structures. The event distribution is determined from molecular dyn amics simulations, which can give diffusion rates, defect production, sputt ering yields, and other information needed to match real materials. We disc uss simulations of deposition into small vias and trenches, and their exten sion to the length scale of real devices through scaling relations. (C) 200 0 Published by Elsevier Science S.A. All rights reserved.