Band approach to the excitation-energy dependence of x-ray fluorescence of TiO2

L. D. Finkelstein, E. Z. Kurmaev, M. A. Korotin, A. Moewes, B. Schneider, S. M. Butorin, J. H. Guo, J. Nordgren, D. Hartmann, M. Neumann, D. L. Ederer

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40 Citations (Scopus)

Abstract

Excitation-energy dependence of Ti L2,3 soft x-ray emission spectra (XES) of a TiO2 single crystal is measured near Ti 2p threshold using tuneable synchrotron radiation at excitation energies Eexc = 458.2-476.9 eV. It is found that the emission spectra exhibit normal soft x-ray emission features, which do not change with excitation energy and inelastic and resonant x-ray emission features (RXES), which strongly depend on the excitation energy. We are using a band approach in order to discuss the excitation-energy dependence of Ti L2,3 RXES of TiO2. The RXES process is described as a convolution of occupied and unoccupied d states in the intermediate and final states. In this procedure the d states are limited to those which lie in the energy interval Eexc ± ΔE taking into account the rule of k conservation. We calculate the curves of restricted joint density of states using the full potential linearized muffin-tin orbital method and the results are found to be in reasonable agreement with the experimental Ti L2,3, RXES of TiO2 measured at different excitation energies.

Original languageEnglish
Pages (from-to)2212-2217
Number of pages6
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume60
Issue number4
DOIs
Publication statusPublished - 1999
Externally publishedYes

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