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arxiv: cond-mat/0102433 · v1 · submitted 2001-02-23 · ❄️ cond-mat.mtrl-sci

Dynamic structure factor of gold

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keywords structuredynamicalfactorfunctiongoldresponseresultsagreement
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We have investigated the role of localized {\it d} bands in the dynamical response of Au, on the basis of {\it ab initio} pseudopotential calculations. The density-response function has been evaluated in the random-phase approximation. For small momenta, we have found a double peak structure in the energy-loss function, which results from the presence of {\it d} electrons. These results are in good agreement with the experimentally determined optical response of gold. We also analyze the dependence of the dynamical structure factor on the wave vector {\bf q}.

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