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

Commit id: e99cb65c9777bf323c23d8d0c17d03180d7cd144

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Due to Pauli exclusion only electrons in the energy 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 $\Delta_\text{DFT} = 1.6~\mathrm{eV}$ below the Fermi energy (see for example, Fig. 3(a) in Ref.~\cite{Lin_2008}),   that electron (band) effective mass are close to $1$ for and $k_\text{F} = 0.72$ for $\mathrm{Cu}$ $\mathrm{s}$-electrons \cite{Ashcroft_2003}.   Based in this DFT ground state density of states plus conservation laws we obtain an estimate of $v_\text{kink} = \Delta/\hbar/k_\text{F} = 0.081~\mathrm{a.u.}$ 0.082~\mathrm{a.u.}$  in qualitative agreement with the TDDFT prediction. In reality, the $\mathrm{d}$-band is about $\Delta_\text{exp} = 2~\mathrm{eV}$ below the Fermi energy as indicated by ARPES \cite{Knapp_1979}, that means that both the DFT-based estimate and the TDDFT result should be giving an underestimation of 25\% of the kink location.  The second (negative) kink at $v = 0.3~\mathrm{a.u.}$ is more difficult to explain precisely as the qualitative description in terms of $k_\text{F}$ become more ambiguous, but it is related to the point at which the whole conduction band (11 electrons) starts participating in the process.  In reality, the $\mathrm{d}$-band is about $\Delta_\text{exp} = 2~\mathrm{eV}$ below the Fermi energy, that means that both the DFT-based estimate and the TDDFT result should be giving an underestimation of 25\% of the kink location.