2001/02/23 by I. G. Gurtubay, J. M. Pitarke, I. Campillo +1 · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci
published as Comp. Mater. Sci. 22, 123 (2001) · 7 pages, 4 figures, to appear in Comp. Mater. Sci
arxiv created 2001/02/23 · arxiv updated 2009/11/30
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.