Pre-edge structure analysis of Ti K-edge polarized X-ray absorption spectra in TiO2 by full-potential XANES calculations

Authors
Cabaret, D Joly, Y Renevier, H Natoli, CR
Citation
D. Cabaret et al., Pre-edge structure analysis of Ti K-edge polarized X-ray absorption spectra in TiO2 by full-potential XANES calculations, J SYNCHROTR, 6, 1999, pp. 258-260
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF SYNCHROTRON RADIATION
ISSN journal
09090495 → ACNP
Volume
6
Year of publication
1999
Part
3
Pages
258 - 260
Database
ISI
SICI code
0909-0495(19990501)6:<258:PSAOTK>2.0.ZU;2-C
Abstract
The pre-edge region of Ti ii-edge polarized XANES spectra in TiO2-rutile is investigated by hull-potential calculations based on the finite-difference method. Both dipolar and quadrupolar transitions are considered. The use o f "non muffin-tin" potential allows a clear interpretation of the pre-edge features. The results are consistent with Full-potential LAPW band structur e calculations, and are also compared with multiple-scattering calculations .