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

Commit id: 51c9f6c26945c7adbec198ad014fe5b883f9b2c6

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For the off-channeling case, there is a better agreement between the our $S_\text{e}$ results with the \textsc{Srim} data in most of the range. In experiments where trajectories are not finely controlled, the projectile does indeed explore core regions of the host atoms.  At higher velocities ($v > 4 ~\mathrm{a.u.}$) the disagreement stems from combined effect of the lack of explicit core electrons in the simulation and also size effects, as excitations of long wavelength plasma oscillation is constrained by the simulation supercell \cite{Schleife_2015}.   It is clear that a larger cell and the inclusion of more core electrons would be necessary to obtain better agreement in this region.   Giving Although experimental values have considerable vertical spread,   our calculated stopping power is on the low side for most of the points and also below the fitted by \textsc{Srim} model \cite{Ziegler_2010}.  While this could be partially explained by taking into account off-channeling trajectories near the peak,   (off-channeling has been reported to increase the electronic stopping power by approximately a factor of  two for several materials \cite{Dorado_1993}, \cite{Schleife_2015}),   at low velocities a different explanation must be sought.  On this lines we would like to note that more sophisticated approaches,  based on the dielectric and current-density response but including  the exact many-body and dynamic exchange-correlation  treatment, are available in  the limitation literature \cite{Nazarov_2007}.   These types approaches which are beyond the current scope of this work, may contain explicitly additional channels of dissipation not taken into account in our adiabatic exchange and correlation functionals that can be relatively important at low velocities.  Given the aforementioned limitations  of the orbital based method and the exchange and correlation used  it is reassuring to see agreement up to a few times the velocity of the maximum stopping. We also see that at low velocity the off-channeling and channeling simulated points collapses to a common curve, this effect has been seen in the simulations before \cite{Schleife_2015,Ullah_2015}, at low velocity the effect is less sensitive to the precise geometry of the trajectory.