Electronic Stopping Power in Gold: The Role of d Electrons and the H/He Anomaly

摘要: (Received 2 December 2011; published 31 May 2012) The electronic stopping power of H and He moving through gold is obtained to high accuracy using time-evolving density-functional theory, thereby bringing usual first principles accuracies into this kind strongly coupled, continuum nonadiabatic processes in condensed matter. two key unexplained features what observed experimentally have been reproduced understood: (i) nonlinear behavior versus velocity a gradual crossover as excitations tail the d-electron spectrum; (ii) low-velocity H=He anomaly (the relative powers are contrary established theory) explained by substantial involvement d electrons screening projectile even at lowest velocities where energy loss generated s-like electron-hole pair formation only.