Monte Carlo simulation of thin film growth on Si surfaces

Abstract

Monte Carlo simulations of homoepitaxial growth on Si(100) surfaces by molecular beam epitaxy are reviewed. First some characteristics of Si(100) surfaces are pointed out. To include the important characteristics of the growth, the events needed to be taken into account in the simulations are described, i.e., the arrival of atoms, diffusion of atoms on the surface, dimer formation and the dimer flip and the desorption events. Two Monte Carlo methods with different lattice configurations are used in the simulations. One is that takes acount of a diamond-type structure and the other is that takes acount of a simple cubic lattice structure. The probability of each event is given phenomenologically based on the observed experimental results and molecular dynamics calculations. Based on the results of the simulations, the typical growth kinetics and the surface morphologies during the growth are discussed to point out the characteristic behaviors of the thin film growth on Si(100). The recovery process and the annealing process of the surface after the growth are then discussed. The growth simulations on vicinal Si(100) surfaces are also studied with the emphasis on the role of steps and two different types of steps. Some conspicuous effects observed on the vicinal surfaces are discussed.