Alfredo A. Correa edited Abstract.tex  over 8 years ago

Commit id: 0f28ecd203ffa9f6a587f695cdc23f9ff2d59404

deletions | additions      

       

A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion %$\mathrm{H^+}$ ion   in a periodic crystal. %$\mathrm{Cu}$ crystal.   These electronic excitations determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories.   Our off-channeling results are in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with exponent a power of  $\sim 1.5$) in the velocity range $v = 0.1-0.3~\mathrm{a.u.}$ that we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models in separate regimes.   We find that the limit of electronic stopping $v\to 0$ is not as simple as phenomenological models suggest and it plagued by band-structure and non-linear effects.