J. Phys. IV France
Volume 7, Numéro C2, Avril 1997Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
|Page(s)||C2-517 - C2-518|
J. Phys. IV France 7 (1997) C2-517-C2-518
Electronic Structure of LnFeO3 (Ln = Rare Earth) Compounds: XANES AnalysisA.V. Soldatov, N.A. Povahzynaja and G.E. Yalovega
Department of Solid State Physics, Rostov University, Sorge 5, Rostov-Don 344090, Russia
Oxygen K-edge x-ray absorption spectra of LnFeO3 (Lm=Sm, Eu, Nd) have been measured and theoretical calculations of O K-XANES and partial O p-, Fe s- and Fe d density of states on the basis of full multiple scattering formalism in the real space have been made. Unoccupied O p-states are found to be hybridized with both Fe 3d and RE if states in the conduction band of LnFeO3 and there are some indications that unoccupied oxygen p-states interact with Fe 3rf not in simple manner of states admixture but in a specific resonance manner when localized d states push oxygen p states out of the energy interval where these d states are localized. It was found that the observed shift of O K-XANES pre-edge can be explained by the changes in a value of indirect exchange interaction.
© EDP Sciences 1997