Molecular Dynamics Simulations of Influence of Surface Temperature on Fluorine Etching of Silicon

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Molecular dynamics simulation of the reactions between gaseous fluorine atoms and silicon are performed using the development Tersoff-Brenner potential at the temperature from 500K to 1200K. The simulation results show that the Si surface temperature significantly affects the F etching. For instance, as the surface temperature rises up, the numbers of F atoms deposited on and scattered by Si surface decrease, at the same times, the number of the sputtering fluorine atoms and the reactive F atoms with surface to produce volatile compounds increase. In addition, the quantity of the F etched Si atoms increased with an increase of the surface temperature.