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Oxygen vacancy contribution on the polarization dependent DAFS of Rutile TiO2

Zschornak, M.; Richter, C.; Novikov, D.; Stöcker, H.; Leisegang, T.; Gemming, S.; Meyer, D. C.


In order to develop a method to reconstruct the density of unoccupied electronic states in between Fermi energy and vacuum level, we performed combined anisotropic anomalous scattering and diffraction anomalous fine structure (AAS-DAFS) scans. Examining the energy dependence of the dipole-dipole transition near the Ti-K absorption edge in rutile TiO2 [2], special interest was given to the stability of the symmetry restrictions imposed by the Ti site symmetry on the dipole-dipole transition. Here we present new results, extending former findings from studying the sample orientation dependent, diffracted intensity on different allowed and forbidden reflections at the specific resonance photon energy of E = 4985 eV exclusively [3], in respect to the energy dependence.

Keywords: DAFS; rutile; O vacancy; point defect; X-Ray; simulation

  • Poster
    European Crystallographic Meeting, ECM-26, 30.08.-02.09.2010, Darmstadt, Deutschland


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