| Numéro |
J. Phys. IV France
Volume 7, Numéro C2, Avril 1997
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
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|---|---|---|
| Page(s) | C2-221 - C2-222 | |
| DOI | https://doi.org/10.1051/jp4/1997171 | |
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
J. Phys. IV France 7 (1997) C2-221-C2-222
DOI: 10.1051/jp4/1997171
1 Laboratoire CNS URA 446, bâtiment 415, UPS Orsay, 91405 Orsay cedex, France
2 Laboratoire CNS URA 446, bâtiment 415, UPS Orsay, 91405 Orsay cedex France
© EDP Sciences 1997
J. Phys. IV France 7 (1997) C2-221-C2-222
DOI: 10.1051/jp4/1997171
Origin of XAS Resonances for 3D Metals in Rutile Compounds
V. Jeanne-Rose1, B. Poumellec2 and Y. Aïfa11 Laboratoire CNS URA 446, bâtiment 415, UPS Orsay, 91405 Orsay cedex, France
2 Laboratoire CNS URA 446, bâtiment 415, UPS Orsay, 91405 Orsay cedex France
Abstract
In this work, we want to clear up the origin of the XAS structures for rutile compounds. To determine the
connections between the atomic arrangement and XAS structures, we have calculated the Ti K edge in TiO2 and compared
results when few atoms are removed from the cluster. Multiple Scattering approach from FEFF6 code is used.
© EDP Sciences 1997