Abstract
Computer simulations were made of the formation process of vacuum-deposited thin films by the use of a hybrid method in which a deterministic algorithm and a stochastic algorithm were combined. The traces of the film atoms were calculated by molecular dynamics, while those of the substrate atoms were generated from a modified Langevin equation. It was found that the rapid structural relaxation of the deposited film assisted by the thermal energy of the substrate and that of the incident beam was needed for the occurrence of the layered structure of thin films with high crystallinity. The dependences of the film growth on the energy parameters of the atomic interaction, the deposition rate, and the substrate temperature were studied in detail.
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