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

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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)


  • K Hatakada
  • T. Fujikawa
  • Lars Hedin
Enheter & grupper

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Den kondenserade materiens fysik
Sidor (från-till)207-209
TidskriftJournal of Synchrotron Radiation
Utgåva nummer2
StatusPublished - 2001
Peer review utfördJa