Local Field Effects in the Electron Energy Loss Spectra of Rutile TiO2

Nathalie Vast, Lucia Reining, Valerio Olevano, Peter Schattschneider, and Bernard Jouffrey
Phys. Rev. Lett. 88, 037601 – Published 3 January 2002
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Abstract

We present an ab initio calculation of the electron energy loss spectrum of rutile TiO2 in the energy range of 0 to 60 eV, focusing our interest on the excitation from the titanium 3p semicore levels. The results are compared to our measurements. Local field effects turn out to be crucial at those energies, and their inclusion in the calculation yields excellent agreement between theory and experiment. We show how in rutile these effects induce an anisotropy in the otherwise isotropic transitions from quasispherical 3p semicore states to 3d states of almost cubic symmetry.

  • Received 30 May 2001

DOI:https://doi.org/10.1103/PhysRevLett.88.037601

©2002 American Physical Society

Authors & Affiliations

Nathalie Vast1, Lucia Reining1, Valerio Olevano1, Peter Schattschneider2, and Bernard Jouffrey3

  • 1Laboratoire des Solides Irradiés, CNRS-CEA, École Polytechnique, F-91128 Palaiseau, France
  • 2Institut für Angewandte und Technische Physik, University of Technology Vienna, A-1040 Vienna, Austria
  • 3LMSS-MAT, CNRS-UMR 8579, École Centrale Paris, F-92295 Châtenay-Malabry, France

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Vol. 88, Iss. 3 — 21 January 2002

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