Dependence of inner-shell vacancy production upon distance in hard Li-Al collisions

Abstract

We match the predictions of molecular-dynamics simulations of 1.2 keV and 2.0 keV 7Li+ scattered from Al(100) to observed total Li atom spectra measured by time-of-flight spectroscopy. In doing so we determine the relevant parameters in a simple distance of closest approach model for the probability of production of single and double vacancies in the Li 1s shell during hard Li-Al collisions. In the standard Fano-Lichten model of vacancy production, vacancies are produced with unit probability if the collision is hard enough to force the collision partners past some critical distance of closest approach. We find that such an assumption is insufficient to fit our simulations to experimental observations, and that we must allow for a gradual turning on of the vacancy production probability as the distance of closest approach decreases. The resulting model may be useful in modeling atomic excitation effects in simulations of other ion-impact processes.