Molecular dynamics (MD) simulations were conducted of Cl+ impact (at 10, 25 and 50 eV) of an initially bare silicon surface, leading to steady state coverage of Cl in a mixed chlorosilyl layer. Our main goal in this study was to compare the MD predictions to models of ion-assisted etching involving the concept of a site balance. For the case of 50 eV Cl+ etching silicon, the coverage vs. exposure results in the simulation could be reasonably well reproduced in a site balance model, but only if the correct parameters in the model were taken from the simulation. The results of the comparison suggest that MD simulations can be helpful in the development of physically sound phenomenological models of ion-assisted etching.
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Barone, M.E., Graves, D.B. Site Balance Models in Plasma Processing: A Comparison to Molecular Dynamics Simulations. MRS Online Proceedings Library 389, 29–34 (1995). https://doi.org/10.1557/PROC-389-29