Monte Carlo Simulation of Chemical Reactions in Plasma Enhanced Chemical Vapor Deposition: from Microscopic View to Macroscopic Results

We propose in the present work a Monte Carlo Simulation (MCS) of chemical reactions occurring in Plasma Enhanced Chemical Vapor Deposition (PECVD) reactor during the a-Si:H growth. From a microscopic view of chemical reactions, this MCS allowed to obtain macroscopic results. In gas phase, important reactions have been identified that contribute to the production of H, SiH2 and SiH3. We found that SiH4 -> SiH2 +2H is the dominant silane electron-impact dissociation. We found that the reaction SiH4 + H -> SiH3 + H-2 plays a central role in the production of SiH3 radicals. At the surface, the microscopic view allowed us to calculate site and surface reaction probabilities of SiH3 radicals. Results at macroscopic level were consistent with other works.