Ca and S K-edge XANES of CaS calculated by different methods : influence of full potential, core hole and Eu doping

Ca and S K-edge spectra of CaS are calculated by the full-potential Green's function multiple-scattering method, by the FLAPW method and by the finite-difference method. All three techniques lead to similar spectra. Some differences remain close to the edge, both when comparing different calcul...

Ausführliche Beschreibung

Bibliographische Detailangaben
Veröffentlicht in:Journal of synchrotron radiation. - 1994. - 26(2019), Pt 1 vom: 01. Jan., Seite 152-158
1. Verfasser: Šipr, Ondřej (VerfasserIn)
Weitere Verfasser: Khan, Wilayat, Joly, Yves, Minár, Ján
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2019
Zugriff auf das übergeordnete Werk:Journal of synchrotron radiation
Schlagworte:Journal Article CaS XANES core hole full potential