Improved Theoretical X-Ray Resonant Scattering Amplitudes

Published

October 12, 2021

Author(s)

J O. Cross, M I. Bell, M Newville, J J. Rehr, L B. Sorensen, Charles E. Bouldin, 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,32.30Rj

Citation

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

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 October 13, 2025)