A quantitative and comparative study of sputtering yields in Au

Abstract

We have systematically tested two entirely independent, empirical potentials (EAM and MD/MC CEM) which are widely used in classical molecular dynamics simulations by simulating Xe ion impacts to the Au(111) surface in the broad energy range between 0.1 and 200keV. Special attention is paid to ensure that the simulated results are statistically significant. We have also compared simulations to experimental results on sputtering yields and crater production. Both potentials bring about qualitatively similar outcomes of the collision cascades, giving good confidence that the previous conclusions drawn from simulations on heat spike behaviour in dense metals are valid. However, the quantitative results are different. The MD/MC CEM potential has clearly better agreement with experimental sputtering yield data than the EAM potential, although neither potential agrees with experiments in the full energy range studied.