Heating electrons with ion irradiation: A first-principles approach

Abstract

Using time-dependent density functional theory we calculate from first-principles the rate of energy transfer from a moving charged particle to the electrons in an insulating material. The behavior of the electronic stopping power in LiF (a wide band gap insulator) versus projectile velocity displays an effective threshold velocity of 8.2Bohr/asec for the proton, consistent with recent experimental observations. The calculated proton/antiproton stopping power ratio is 2.4 at velocities slightly above the threshold (16.5Bohr/asec) as compared to the experimental value of 2.1. The approximations introduced in this new non-perturbative methodology are discussed, and results on the velocity dependence of the stopping power, the locality of the energy transfer, and other characteristics of the host material are presented.