Molecular dynamics simulations of Cl~+ etching on a Si(100) surface

摘要

Molecular dynamics simulations using improved Tersoff-Brenner potential parameters were performed to investigate Cl~+ etching of a {2 × 1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiCl_x species in the reaction layer is found to be SiCl:SiCl_2:SiCl_3=1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiCl_x (0 < x < 4) etch products are produced by chemical-enhanced physical sputtering.