Published 1999
| Version v1
Journal article
Pre-edge structure analysis of Ti K-edge polarized X-ray absorption spectra in TiO2 by full-potential XANES calculations
Creators
- 1. Univ. Paris VI et VII, Paris Cedex (France)
- 2. l'Universite Joseph Fourier, Lab. de Cristallographie, Grenoble Cedex (France)
- 3. Lab. Nazionali de Frascati, INFN, Frascati (Italy)
Description
The pre-edge region of Ti K-edge polarized XANES spectra in TiO2-rutile is investigated by full-potential calculations based on the finite-difference method. Both dipolar and quadrupolar transitions are considered. The use of 'non muffin-tin' potential allows a clear interpretation of the pre-edge features. The results are consistent with Full-potential LAPW band structure calculations, and are also compared with multiple-scattering calculations. (au)
Additional details
Publishing Information
- Journal Title
- Journal of Synchrotron Radiation
- Journal Volume
- 6
- Journal Page Range
- p. 258-260
- ISSN
- 0909-0495
Conference
- Title
- 10. international conference on X-ray absorption fine structure XAFS X
- Dates
- 10-14 Aug 1998
- Place
- Chicago, IL (United States)
INIS
- Country of Publication
- Denmark
- Country of Input or Organization
- Denmark
- INIS RN
- 30043850
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ABSORPTION SPECTRA; ELECTRONIC STRUCTURE; FINITE DIFFERENCE METHOD; RUTILE; TITANIUM OXIDES; X-RAY SPECTROSCOPY
- Descriptors DEC
- CALCULATION METHODS; CHALCOGENIDES; ITERATIVE METHODS; MATERIALS; MINERALS; NUMERICAL SOLUTION; OXIDE MINERALS; OXIDES; OXYGEN COMPOUNDS; RADIOACTIVE MATERIALS; RADIOACTIVE MINERALS; SPECTRA; SPECTROSCOPY; TITANIUM COMPOUNDS; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Notes
- 19 refs.