Modeling of film growth under deposition

Abstract

A numerical code modeling the process of film formation under deposition is described. The calculation results of the polycrystalline grain size are presented. The surface processes under consideration on the substrate are as follows: the diffusion of adatoms (adsorbed atoms), their clustering, and the cluster growth resulting in polycrystal formation. The cluster concentration was shown to saturate with its deposition time reaching the maximal value C and with its polycrystalline grain size being d = C−1/2. The polycrystalline grain size depends on the dimensionless parameter ϕ = qa4/D (a is the atomic size and q is the atomic flow onto the substrate), like d ≈ ϕ−1/4−ϕ−1/6. The cluster concentration grows (and the grain size decreases) at hampered clustering, i.e., with a decrease in the cross section of atomic capture by clusters and under repulsive forces acting between atoms and between atoms and clusters.