Atomic simulation of energetic fluorine interacting with Si(0 0 1)

In this study, Molecular dynamics simulations were performed to investigate F continuously bombarding silicon surfaces at normal incidence and room temperature. The simulated results show that with increasing incident energy and temperature, the etch yield of Si atoms increases, which is in good qualitative agreement with experiments. Accompanying reaching the steady-state F uptake and Si etching, a steady-state SiFx (x = 1–4) reactive layer is formed whose thickness increases with increasing incident energy. In the reaction layer, SiF species are dominant and SiF3 species decrease with increasing incident energy.