J. Phys. IV France 7 (1997) C2-507-C2-508
Characterization of Iron Oxides by XAS at the Fe L2,3 and O K EdgesS. Gota1, F. Jollet1, J.P. Crocomhette1, Z.Y. Wu2, M. Pollak1, N. Thromat1, M. Gautier-Soyer1 and C.R. Natoli3
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.
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