6533b834fe1ef96bd129de80

RESEARCH PRODUCT

Influence of the focusing effect on XAFS in ReO3, WO3−x and FeF3

Ph. ParentAlexei KuzminJuris Purans

subject

Materials scienceAbsorption spectroscopyAb initiochemistry.chemical_elementTungstenRheniumCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsX-ray absorption fine structurechemistry.chemical_compoundTungstatechemistryAb initio quantum chemistry methodsPhysical chemistryElectrical and Electronic EngineeringAbsorption (chemistry)

description

Abstract The role of the focusing effect in the formation of X-ray absorption fine structure (XAFS) is considered for ReO3, non-stoichiometric tungsten oxides WO3−x and FeF3 having the perovskite-type structure. Two cases are mainly discussed: (1) an admixture of rhenium and tungsten L2-edge XAFS in ReO3 and WO3−x crystals to the one above rhenium and tungsten L1-edge and (2) high-order superfocusing effect in Fe0F1Fe2F3Fe4 atomic chain in iron K-edge XAFS of FeF3 which is analysed using an ab initio multiple-scattering approach.

https://doi.org/10.1016/0921-4526(94)00630-e