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Figure 4
Theoretical Ca K-edge (upper panel) and S K-edge (lower panel) XANES of CaS obtained when the core hole was accounted for via the final-state approximation relying either on the embedded impurity cluster formalism or on the single-site impurity approach. The calculations were performed using the SPRKKR code in the ASA mode. The experimental XANES of Xu et al. (2013BB31) is shown for comparison.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 26| Part 1| January 2019| Pages 152-158
https://doi.org/10.1107/S1600577518016144
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