Etch yields (number of Si atoms removed per incident ion) as a function of incident energy. Besides the present calculation results, also experimental data (Refs. 42 and 43) and the results of other MD simulations (Ref. 28) are presented. The error bars are calcuated as the standard deviation corresponding to a normal distribution of the performed simulations.
Calculated Cl coverage as a function of exposure for the four energies under study (25, 50, 100, and 150 eV) at 300 K. Here 1 ML exposure is equivalent to 50 surface atoms.
Calculated depth profiles of the modified Si surfaces at 25, 50, 100, and 150 eV after an exposure of 45 ML of Cl atoms. The depth profiles are obtained by averaging over the lateral dimension of the sample, with a depth resolution of 1.3575 Å.
Calculated relative fractions of SiCl, , and species in the reaction layer (a) as a function of incident energy after exposure to 45 ML of Cl atoms and (b) as a function of exposure with Cl atoms of 150 eV.
Calculated depth profiles of SiCl and species in the reaction layer after 45 ML of Cl exposure at (a) 25 eV and (b) 150 eV.
Calculated thicknesses of the reaction layer as a function of incident energy after 45 ML of Cl exposure, in comparison with experimental data (Ref. 21) Note that the thickness is calculated from full width at half maximum.
Calculated product yields of species as a function of incident energy after 45 ML of Cl exposure.
Calculated relative ratios as a function of Cl incident energy. Here the relative ratio is defined as the ratio of the number of SiCl, , and species produced by chemical etching to the number of SiCl, , and species produced by chemical-enhanced physical sputtering.
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