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

Autor(en): Finkelstein, LD
Kurmaev, EZ
Korotin, MA
Moewes, A
Schneider, B
Butorin, SM
Guo, JH
Nordgren, J
Hartmann, D
Neumann, M
Ederer, DL
Stichwörter: Materials Science; Materials Science, Multidisciplinary; Physics; Physics, Applied; Physics, Condensed Matter; RUTILE; SPECTROSCOPY
Erscheinungsdatum: 1999
Volumen: 60
Ausgabe: 4
Startseite: 2212
Seitenende: 2217
Excitation-energy dependence of Ti L-2,L-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 E-exc = 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 L-2,L-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 E-exc /- Delta E 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 L-2,L-3, RXES of TiO2 measured at different excitation energies. [S0163-1829(99)12227-6].
ISSN: 10980121
DOI: 10.1103/PhysRevB.60.2212

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