Monte Carlo simulations of amorphous hydrogenated silicon thin-film growth

Abstract

Monte Carlo simulations of amorphous hydrogenated silicon thin‐film growth are carried out to examine the effects of film growth reactions, etching reactions, and surface diffusion on three‐dimensional film structure. Although a simulated film contains 1000 silicon atoms or less, the hydrogen content and density can be extrapolated to bulk values. The predicted bulk values of the hydrogen content, 11–44 at. %, and density, 1.8–2.0 g/cm³, are consistent with experimental results. The surface diffusion of silicon‐containing species is found to have the most significant effect on the final film properties. A knowledge of the specific chemical mechanism leading to film growth is not assumed.