Title: Inclusion of Local Structure Effects in theoretical X-Ray Resonant Scattering Amplitudes Using ab initio X-Ray Absorption Spectra Calculations.
Authors: CROSS J.o.REHR J.j.SORENSEN L.b.BOULDIN C.e.GOUDER ThomasLANDER Gerard heathBELL M.i.
Citation: Physical Review B vol. 58 no. 17 p. 11215-11225
Publication Year: 1998
JRC N°: JRC17238
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC17238
Type: Articles in Journals
Abstract: Resonant elastic scattering amplitudes Alpha f = f'+ f'' in the vicinity of the absorption edges have been obtained by appliyng a differential Kramers-Kronig transform to theoretical absorption cross-sections calculated by the AB INITIO x-ray absorption code FEFF. By including solid-state effects due to the local environment of a resonant atom, FEFF makes significant improvements to existing calculations of the resonant scattering amplitudes. The resultsare compared to experimental measurements of Bragg peak intensities as a continuous function of energy for Cu metal and YBa2Cu3O6.8 at the Cu K absorption edge, and for UO2 at the U M IV absorption edge.
JRC Institute:Institute for Transuranium Elements

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