Abstract
In this paper we present theoretical and experimental results for the linear electronic response of Ag. The calculations are performed within time-dependent density-functional theory. They are based on a pseudopotential scheme with and without the inclusion of semicore states and a plane-wave expansion of the wave functions. The influence of the semicore states is shown and discussed. The results for the ground-state calculation are furthermore compared to those of all-electron calculations. The theoretical results are then compared to electron-energy-loss spectroscopy spectra obtained by using a transmission electron microscope. Although we achieve good agreement in many aspects, it is shown that even for such a supposedly simple material as crystalline Ag, the results cannot be fully understood.
- Received 12 November 2002
DOI:https://doi.org/10.1103/PhysRevB.68.115102
©2003 American Physical Society