Theoretical and experimental study of the dynamical electronic response of Ag

Wolf-Dieter Schöne, Dang Sheng Su, and Walter Ekardt
Phys. Rev. B 68, 115102 – Published 5 September 2003
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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

Authors & Affiliations

Wolf-Dieter Schöne1,2, Dang Sheng Su1, and Walter Ekardt1

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
  • 2Freie Universität Berlin, Fachbereich Physik, Arnimallee 14, 14195 Berlin, Germany

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Issue

Vol. 68, Iss. 11 — 15 September 2003

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