| Issue |
J. Phys. IV France
Volume 7, Number C2, Avril 1997
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
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|---|---|---|
| Page(s) | C2-507 - C2-508 | |
| DOI | https://doi.org/10.1051/jp4/1997072 | |
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
J. Phys. IV France 7 (1997) C2-507-C2-508
DOI: 10.1051/jp4/1997072
1 CEA, DSM/DRECAM/SRSIM, bâtiment 462, CE Saclay, 91191 Gif-sur-Yvette cedex, France
2 Institut des Materiata de Nantes, UMR 110 du CNRS, Laboratoire de Chimie des Solides, 2 rue de la Houssinière, 44072 Nantes cedex 03, France
3 MFNLaboratori Nazionali di Frascati, P.O. Box 13, 00044 Frascati, Italy.
© EDP Sciences 1997
J. Phys. IV France 7 (1997) C2-507-C2-508
DOI: 10.1051/jp4/1997072
Characterization of Iron Oxides by XAS at the Fe L2,3 and O K Edges
S. Gota1, F. Jollet1, J.P. Crocomhette1, Z.Y. Wu2, M. Pollak1, N. Thromat1, M. Gautier-Soyer1 and C.R. Natoli31 CEA, DSM/DRECAM/SRSIM, bâtiment 462, CE Saclay, 91191 Gif-sur-Yvette cedex, France
2 Institut des Materiata de Nantes, UMR 110 du CNRS, Laboratoire de Chimie des Solides, 2 rue de la Houssinière, 44072 Nantes cedex 03, France
3 MFNLaboratori Nazionali di Frascati, P.O. Box 13, 00044 Frascati, Italy.
Abstract
α-Fe2O3, FeO and Fe3O4 compounds are characterized by X-ray Absorption Spectroscopy (XAS). The experimental
Fe L2,3 spectra are accounted for thanks to a configuration interaction calculation (CI). The contributions of the various iron site
symmetries and valencies are discriminated and the nature of insulating gap is deduced for each compound. The oxygen K-edge
spectra are successfully interpreted by full multiple scattering (MS) calculations. Using increasing cluster sizes around the excited
atom in the MS simulations, the features present on the spectra of each iron oxide are linked to its specific atomic arrangement and
electronic structure.
© EDP Sciences 1997