Alfredo A. Correa added Our_results_show_good_agreement__.tex  over 8 years ago

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Our results show good agreement with Markin \emph{et al.} \cite{Markin_2009} but a relative disagreement with those of Cantero \emph{et al.} \cite{Cantero_2009}.   This could be a simple experimental scaling issue related to the different between measuring absolute or relative stopping power \cite{Markin_2009}.  We observe $S_\text{e}$ kink around $v \sim 0.1 ~\mathrm{a.u.}$ due to a mixture of $d$-band in the electronic density of states.   For energy loss our new results for $v \leq 0.06~\mathrm{a.u.}$, are primarily due to $s$-band electrons.   In the simulation we directly show a crossover region between the two linear regimes, and we find that the friction in direct proportion to the velocity with a power law of with exponent $1.455$.  The kink found at $v = 0.6~\mathrm{a.u.}$ can be explained by conservation laws in the homogeneous electron gas.  The minimum energy loss with maximum momentum transfer from an electron to an ion moving with velocity $v$ are respectively $2\hbar k_\text{F}$ and $2\hbar k_\text{F} v$ (plus corrections of order $m_\text{e}/m_\text{p}$). Therefore electrons in the range $E_\text{F} \pm 2\hbar k_\text{F} v$ can participate in the stopping process.   Taking into account that DFT band structure predicts that the $\mathrm{d}$-band is $\sim 1.5~\mathrm{eV}$ below the Fermi energy, and we use that the values of the effective mass are close to $1$ for and $k_\text{F}$ $\mathrm{s}$-electrons   Below $0.02~\mathrm{a.u.}$, the lack of experimental points preclude a direct comparison, but we find a large deviation from linear behavior, one possible explanation is that bound effects break down the linear response (Linhard) approximation that was useful to interpret the different regimes and crossover at $v > 0.02~\mathrm{a.u.}$  %In the same figure we compare our results with density $6.84~\mathrm{g/cm^3}$ and $8.96~\mathrm{g/cm^3}$.%  %