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Full-potential multiple scattering for x-ray spectroscopies

Authors :
M. Benfatto
Keisuke Hatada
Kuniko Hayakawa
Calogero R. Natoli
Source :
Physical Review B. 76
Publication Year :
2007
Publisher :
American Physical Society (APS), 2007.

Abstract

We present a Full Potential Multiple Scattering (FP-MS) scheme for the interpretation of several X-ray spectroscopies that is a straightforward generalization of the more conventional Muffin-Tin (MT) version. Like this latter, it preserves the intuitive description of the physical process under consideration and overcomes some of the limitations of the existing FP-MS codes. It hinges on a fast and efficient method for solving the single cell scattering problem that avoids the convergence drawbacks of the angular momentum (AM) expansion of the cell shape function and relies on an alternative derivation of the multiple scattering equations (MSE) that allows us to work reliably with only one truncation parameter, {\it i.e.} the number of local basis functions in the expansion of the global scattering function determined by the classical relation $l_{\rm max} \sim k R$.<br />Comment: 4 pages 2 figures

Details

ISSN :
1550235X and 10980121
Volume :
76
Database :
OpenAIRE
Journal :
Physical Review B
Accession number :
edsair.doi.dedup.....726c9f6c0c6356915b6f3f5ee43cca9a
Full Text :
https://doi.org/10.1103/physrevb.76.060102