6533b86cfe1ef96bd12c7fa1
RESEARCH PRODUCT
X-ray-absorption study of rheniumL3andL1edges inReO3: Multiple-scattering approach
Maurizio BenfattoJuris PuransCalogero R. NatoliAlexei Kuzminsubject
chemistry.chemical_classificationMaterials scienceAbsorption edgechemistryAb initio quantum chemistry methodsScatteringAtomchemistry.chemical_elementStrong focusingRheniumInorganic compoundMolecular physicsSpectral linedescription
We present ab initio calculations of x-ray-absorption fine structure for the Re L 3 and L 1 edges in crystalline ReO 3 based on an exact curved-wave multiple-scattering approach. Good agreement between theoretical and experimental data has been found for both edges. We show that, as expected, the contribution of multiple-scattering signals from linear chains, like Re-O-Re and O-Re-O, is very large both in the L 3 - and L 1 -edge spectra due to the strong focusing effect caused by the middle atom
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1993-02-01 | Physical Review B |