Because the DANES signals contain linear combinations of contributions from the two Cu sites, the individual site contributions can be resolved. The site-separated f' and f'' functions for the two copper sites are shown in Fig. 11. These site separated signals were obtained by calculating crystallographically weighted differences of six pairs of Kramers-Kronig method f' and f'' functions.
The near-edge feature assignments made using the signs of the first energy
derivatives shown in Fig. 10 are confirmed by the
detailed analysis shown in Fig. 11. The
detailed analysis also shows that there are energy shifts between the two
sites, e.g., eV for the transition near 17.0 eV.