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|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 Thomas; LANDER Gerard heath; BELL M.i.|
|Citation:||Physical Review B vol. 58 no. 17 p. 11215-11225|
|JRC Publication N°:||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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