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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)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Synchrotron Radiation
volume
8
issue
2
pages
207 - 209
publisher
Wiley-Blackwell
external identifiers
  • Scopus:0035292381
ISSN
1600-5775
DOI
10.1107/S0909049500019221
language
English
LU publication?
yes
id
0c995266-431d-450c-8e34-f5ba512ea725 (old id 8820945)
date added to LUP
2016-03-01 09:43:57
date last changed
2016-10-13 04:24:11
@misc{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    = {ARRAY(0xb893d38)},
  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},
  volume       = {8},
  year         = {2001},
}