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RESEARCH PRODUCT

Full multiple scattering analysis of X-ray absorption near edge structure at the Eu L3-edge in EuO

Alexei KuzminG MoreauJ. PuransJ. Purans

subject

LanthanideX-ray absorption near edge structureChemistryScatteringMechanical EngineeringMetals and AlloysAb initiochemistry.chemical_elementXANESEdge structureMechanics of MaterialsAb initio quantum chemistry methodsMaterials ChemistryAtomic physicsEuropium

description

Abstract X-ray absorption near edge structure (XANES) at the Eu L 3 -edge in crystalline EuO is interpreted within full multiple scattering (FMS) formalism. Our theoretical results, based on the ab initio self-consistent (SC) potential calculations, are in good agreement with experimental data. The main features in the experimental signal are reproduced taking into account a cluster of about five coordination shells, centred at the europium atom and having EuO structure. An addition of more distant coordination shells makes features only better resolved. The relatively high intensity of the peak, located just above the Eu L 3 -edge, indicates that 5d states are well localised. Comparative analysis with the O K-edge XANES suggests that Eu 5d states are strongly mixed with O 2p states.

yearjournalcountryeditionlanguage
2004-07-01Journal of Alloys and Compounds
https://doi.org/10.1016/j.jallcom.2003.11.071