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

Citation
K. Hatada et al., Theoretical study of the non-local optical potential in EXAFS spectra, J SYNCHROTR, 8, 2001, pp. 207-209
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF SYNCHROTRON RADIATION
ISSN journal
09090495 → ACNP
Volume
8
Year of publication
2001
Part
2
Pages
207 - 209
Database
ISI
SICI code
0909-0495(200103)8:<207:TSOTNO>2.0.ZU;2-E
Abstract
We study the optical potential effects on the extended x-ray absorption fin e 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-loc al optical potential for the core electron part based on GW-approximation. In the Br Kedge EXAFS spectra the present optical potential gives rise to t he phase difference and the amplitude reduction; the agreement with the exp erimental result is excellent. In the N-1s XPD spectra for N-2/Ni(100), the spherical wave effects enhance the effects due to the optical potential.