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Theoretical study of the non-local optical potential in EXAFS spectra

Hatakada, K ; Fujikawa, T. and Hedin, Lars LU (2001) In Journal of Synchrotron Radiation 8(2). p.207-209
Abstract
We study the optical potential effects on the extended x-ray absorption fine structure (EXAFS) and x-ray photoelectron diffraction (XPD) spectra. For the valence electron optical potential we use a local density approximation because the charge density changes fairly slowly, whereas we use a non-local optical potential for the core electron part based on GW-approximation. In the Br K-edge EXAFS spectra the present optical potential gives rise to the phase difference and the amplitude reduction; the agreement with the experimental result is excellent. In the N-1s XPD spectra for N2/Ni(100), the spherical wave effects enhance the effects due to the optical potential.(19 refs)
Please use this url to cite or link to this publication:
author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Synchrotron Radiation
volume
8
issue
2
pages
207 - 209
publisher
International Union of Crystallography
external identifiers
  • scopus:0035292381
ISSN
1600-5775
DOI
10.1107/S0909049500019221
language
English
LU publication?
yes
additional info
DOI: 10.1107/S0909049500019221
id
0c995266-431d-450c-8e34-f5ba512ea725 (old id 8820945)
date added to LUP
2016-04-04 09:07:03
date last changed
2025-04-04 15:24:09
@article{0c995266-431d-450c-8e34-f5ba512ea725,
  abstract     = {{We study the optical potential effects on the extended x-ray absorption fine structure (EXAFS) and x-ray photoelectron diffraction (XPD) spectra. For the valence electron optical potential we use a local density approximation because the charge density changes fairly slowly, whereas we use a non-local optical potential for the core electron part based on GW-approximation. In the Br K-edge EXAFS spectra the present optical potential gives rise to the phase difference and the amplitude reduction; the agreement with the experimental result is excellent. In the N-1s XPD spectra for N2/Ni(100), the spherical wave effects enhance the effects due to the optical potential.(19 refs)}},
  author       = {{Hatakada, K and Fujikawa, T. and Hedin, Lars}},
  issn         = {{1600-5775}},
  language     = {{eng}},
  number       = {{2}},
  pages        = {{207--209}},
  publisher    = {{International Union of Crystallography}},
  series       = {{Journal of Synchrotron Radiation}},
  title        = {{Theoretical study of the non-local optical potential in EXAFS spectra}},
  url          = {{http://dx.doi.org/10.1107/S0909049500019221}},
  doi          = {{10.1107/S0909049500019221}},
  volume       = {{8}},
  year         = {{2001}},
}