Lattice Monte Carlo Models of Thin Film Deposition

Monte Carlo models of crystal growth have contributed to the theoretical understanding of thin film deposition, and are now becoming available as tools to assist in device fabrication. Because they combine efficient computation and atomic-level detail, these models can be applied to a large number of crystallization phenomena. They have played a central role in the understanding of the surface roughening transition and its effect on crystal growth kinetics. In addition, columnar growth, vacancy and impurity trapping, and other growth phenomena that are closely related to atomic-level structure have been investigated by these simulations. In this chapter, we review some of these applications and discuss MC modeling of sputter deposition based on materials parameters derived from first principles and molecular dynamics 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.