Dynamic structure factor of gold

Details Dynamic structure factor of gold Dynamic structure factor of gold

2001-02-23

arxiv.org/abs/cond-mat/0102433v1

Comp. Mater. Sci. 22, 123 (2001)

Physics

Condensed Matter

Materials Science

7 pages, 4 figures, to appear in Comp. Mater. Sci

Scientific paper

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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