Homogeneous nucleation and growth of particles during chemical vapor deposition of silicon oxide films

A numerical model was developed to study homogeneous nucleation, growth and transport of particles during low-pressure thermal and high-density plasma chemical vapor deposition of silicon oxide films from silane and oxygen.; Chemical clustering based on a detailed silane oxidation mechanism was modeled by considering a number of classes of clustering reactions involving dominant silicon-containing species. The rate parameters and cluster thermochemistry were calculated based on ab initio data and estimation schemes. A moment approach was used to model aerosol dynamics under the influence of various chemico-physical effects. Simulations were conducted in a 0-D batch reactor and in a 1-D stagnation-point flow reactor to predict major aerosol characteristics, effects of various system parameters, and the dominant clustering pathways for conditions typical of thermal and high-density plasma silane oxygen CVD systems. Model results were compared with experimental data where available, and reasonable quantitative agreement was obtained with a proper choice of model parameters. In connection with the development of the particle model, the effect of cluster diffusion on homogeneous nucleation and the silane explosion phenomenon were theoretically investigated as well.; Practically, the methodologies and results presented in this study may provide valuable design guidelines for maximizing film growth rates while minimizing particle contamination in the microelectronics manufacturing process.