Monte Carlo Model Of Single Atom And Polyatom Thin Film Growth

In recent years, the nanometer thin film has the special structure and it is a kind of has a good performance and structure of new thin film Materials. Nano-membrane technology was applied in the various fields of science and technology, which changed people’s traditional production concept. The thin film growth is a complex kinetic process. The growth process and its interaction affect the micro structure and properties of thin films. Use calculation simulation technology to simulate the film-forming process of atoms and molecules on the atomic scale, that cannot be directly observed in the experiment process can be seen.In this paper, by using Monte Carlo method (Monte Carlo) constructed monatomic Ag, binary metallic Ti-Al and polyatomic Ti-Si-N of thin film growth model; we studied their three-dimensional growth process from the microscopic view. Ag film model employed the triangular substrate, and Ti-Al film and Ti-Si-N film employed the square lattice. They used the periodic boundary conditions. Thin film growth mainly considering three kinetic processes:deposition, diffusion and re-evaporation. The three processes are independent of each other and occurred on the basis of their probability. But at the same time, the diffusion and re-evaporation are closely related to deposition. The diffusion activation energy calculated by semi-empirical potentials potential is related to the positions of the atoms. The influences of the substrate temperature and the deposition rate on the transitions of island morphologies in thin film growth at the initial stage have been studied in detailed.The simulated results showed that with the increase of the substrate temperature, the size of the island increases, and the number of islands decreases, roughness decreased. The rising of substrate temperature strengthened the atoms diffusion ability, make more isolated atom is captured by the island, increases the chances of the islands merger. Deposition rate determined the particle migration rate; the result of reducing deposition is similar to rising substrate temperature. Smaller deposition rate made particles have plenty of time to migrate. The rising of substrate temperatures and the reducing of deposition rate changed the film growth mode:from the island growth to the layer growth.