Leibniz MMS Days 2022 - Abstract

Miller, Wolfram

Kinetic Monte Carlo Simulation for Understanding Epitaxial Growth

Kinetic Monte Carlo is a nice tool to study the growth kinetics of epitaxial processes on an atomistic scale. However, energy barriers for the various surface processes must be defined and thus either data from ab initio calcalutions or from dedicated experiments are required. Furthermore, processes can be handled only successively so that there is no natural way for parallization. We show two application cases: homoepitaxy of Ga2O3 and epitaxy of AlN or AlGaN on AlN. The specific numerical issues for the computation will be addressed.