Elucidating energetic particle-precursor gas-solid interactions is critical to many atomic and nanoscale synthesis approaches. Focused ion beam sputtering and gas-assisted etching are among the more commonly used direct-write nanomachining techniques that have been developed. Here, we demonstrate a method to simulate gas-assisted focused ion beam (FIB) induced etching for editing/machining materials at the nanoscale. The method consists of an ion-solid Monte Carlo simulation, to which we have added additional routines to emulate detailed gas precursor-solid interactions, including the gas flux, adsorption, and desorption. Furthermore, for the reactive etching component, a model is presented by which energetic ions/target atoms, and secondary electrons, transfer energy to adsorbed gas molecules. The simulation is described in detail, and is validated using analytical and experimental data for surface gas adsorption, and etching yields. The method is used to study XeF2 assisted FIB induced etching of nanoscale vias, using both a 35 keV Ga+, and a 10 keV Ne+ beam. Remarkable agreement between experimental and simulated nanoscale vias is demonstrated over a range of experimental conditions. Importantly, we demonstrate that the resolution depends strongly on the XeF2 gas flux, with optimal resolution obtained for either pure sputtering, or saturated gas coverage; saturated gas coverage has the clear advantage of lower overall dose, and thus lower implant damage, and much faster processing.
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