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, and Lucia Reining
Phys. Rev. Lett. 97, 237602 – Published 4 December 2006

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.

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  • Received 23 July 2006

DOI:https://doi.org/10.1103/PhysRevLett.97.237602

©2006 American Physical Society

Authors & Affiliations

Hans-Christian Weissker1,4, Jorge Serrano2, Simo Huotari2, Fabien Bruneval1,4, Francesco Sottile1,4, Giulio Monaco2, Michael Krisch2, Valerio Olevano3,4, and Lucia Reining1,4

  • 1Laboratoire des Solides Irradiés UMR 7642, CNRS-CEA/DSM, École Polytechnique, F-91128 Palaiseau, France
  • 2European Synchrotron Radiation Facility (ESRF), Grenoble, France
  • 3LEPES CNRS, UPR 11, F-38042 Grenoble, France
  • 4European Theoretical Spectroscopy Facility (ETSF) France, Palaiseau, France

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Issue

Vol. 97, Iss. 23 — 8 December 2006

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