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In the experiments there are various physical processes contributing to the measured lifetime that are not taken into account in these calculations. These are electron transport of the excited electron, higher-order electron-hole recombination processes, and electron-phonon interactions (which might be important and even dominant for high enough temperatures and very-low-energy electrons).
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The computed d-band energies do not improve when gradient corrections to the local density approximation (LDA) exchange-correlation potential are introduced. The existing disagreement between theory and experiment is expected to be due to self-energy corrections to exchange and correlation.
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46
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0343217667
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note
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10 electrons of Cu and Au, respectively. The electron-ion interaction has been described by means of a nonlocal, norm conserving Troullier-Martins pseudopotential. The dielectric matrix has been evaluated in the RPA, by including bands up to a maximum energy of 25 eV above the Fermi level. The sampling over the BZ has been performed on a 16 X 6 X 16 Monkhorst-Pack mesh. The exchange-correlation potential has been evaluated within the LDA, by using the Perdew-Zunger parametrization of the Ceperley-Alder correlation energy. Crystalline local-field effects are fully included in our calculations.
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47
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These calculations have been carried out by computing the self-energy on the energy shell, with no explicit inclusion of the excitation-spectral-weight renormalization that is due to changes of the self-energy near the Fermi level. Within a FEG model of the solid this renormalization is known to yield lifetimes that are longer than those obtained on the energy shell by ∼20% (see Ref. [12]).
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The Auger recombination rate reported in Ref. [26] was determined by subtracting the electron-phonon contribution from the total decay rate. However, it might very well be that the T = 0 rate contribution from the electron-phonon coupling is larger than estimated in Ref. [26], and the measured value of τ(E) should, therefore, be considered as a lower limit of the actual inelastic lifetime.
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