Cross, J.
, Bell, M.
, Newville, M.
, Rehr, J.
, Sorensen, L.
, Bouldin, C.
, Watson, G.
, Gouder, T.
and Lander, G.
(2021),
Improved Theoretical X-Ray Resonant Scattering Amplitudes, Physical Review B (Condensed Matter and Materials Physics)
(Accessed April 23, 2024)
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Improved Theoretical X-Ray Resonant Scattering Amplitudes
Published
Author(s)
J O. Cross, M I. Bell, M Newville, J J. Rehr, L B. Sorensen, , G Watson, T Gouder, G H. Lander
Abstract
Resonant elastic scattering amplitudes [Δ]f = f[u'] + if[u''] in the vicinity of the absorption edges have been obtained by applying 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 results are compared to experimental measurements of Bragg peak intensities as a continuous function of energy for Cu metal and Yba[d2}Cu[d3]O[d6.8] at the Cu K absorption edge, and for UO[d2] at the U M[dIV] absorption edge. PACS numbers:61.10.Dp,78.70.Ck,61.10.YH,32.30RjCitation
Physical Review B (Condensed Matter and Materials Physics)
Pub Type
Journals
Keywords
anomalous dispersion, resonant diffraction, x-ray absorption, x-ray form factors, x-ray scattering
Citation
Created October 12, 2021