Open AccessReal‐space multiple‐scattering analysis of Ag L 1 ‐ and L 3 ‐edge XANES spectra of Ag 2 O
Author(s) -
Šipr O.,
Rocca F.,
Dalba G.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049598018214
Subject(s) - xanes , scattering , enhanced data rates for gsm evolution , spectral line , physics , space (punctuation) , k edge , atomic physics , computational physics , molecular physics , chemistry , optics , computer science , quantum mechanics , operating system , telecommunications
Real-space multiple-scattering analysis of Ag L~ and L3 edge XANES spectra of Ag20 was performed. The experiment is re- produced with sufficient accuracy provided that the scattering po- tential is taken from a selfconsistent molecular calculation. A non- selfconsistent potential produces a fairly accurate reproduction of the experiment as well, however, those results are a bit ambiguous to interpret close to the L3 edge. The L1 edge spectrum is much less sensitive both to the way of constructing the scattering poten- tial and to presence or absence of the core hole than the L3 edge. At least fifteen atoms are needed to reproduce the main peaks at the Lx edge while just three atoms are enough to reproduce the appearance of the dominant structure of the L3 edge.