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Figure 5
Theoretical Ca K-edge (upper panel) and S K-edge (lower panel) XANES of Eu-doped CaS evaluated for those Ca or S atoms which are nearest to the Eu impurity. The calculations were performed using the WIEN2K code, either within the LDA framework (U = 0 eV) or using the LDA+U method (U = 8 eV). For the Ca K-edge, both spectral curves are practically identical. Results for clean CaS are 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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