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Signatures of short-range many-body effects in the dielectric function of silicon for finite momentum transfer

  • Hans Christian Weissker
  • , Jorge Serrano
  • , Simo Huotari
  • , Fabien Bruneval
  • , Francesco Sottile
  • , Giulio Monaco
  • , Michael Krisch
  • , Valerio Olevano
  • , Lucia Reining
  • Laboratoire des Solides Irradiés
  • European Theoretical Spectroscopy Facility (ETSF)
  • European Synchrotron Radiation Facility
  • Institut NÉEL

Research output: Contribution to journalArticlepeer-review

47 Citations (Scopus)

Abstract

We present an investigation of the dynamic structure factor and of the dielectric function εM(Q,ω) of the prototypical semiconductor silicon for finite momentum transfer, combining inelastic x-ray scattering experiments and ab initio calculations. In contrast with optical spectra, for finite momentum transfer time-dependent density-functional theory in the adiabatic local-density approximation together with lifetime broadening describes the physics of valence excitations correctly. Major structures in the spectra, governed by short-range crystal and exchange-correlation local-field effects, are strongly influenced by a mixing of transitions of positive and negative energies, in striking difference to spectra for vanishing momentum transfer. This mixing gives rise to a pronounced Fano asymmetry.

Original languageEnglish
Article number237602
JournalPhysical Review Letters
Volume97
Issue number23
DOIs
Publication statusPublished - 1 Jan 2006

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