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Figure 2
(a) Uranium L1-edge HERFD-XANES and the corresponding simulated spectrum using FDMNES. (b, c) Calculated U-p, U-f, O-p and K-d partial density of states, to allow direct comparison with the experimental XANES spectrum. The Fermi energy level is indicated with a vertical dotted line. Vertical dashed-dotted lines indicating the position of features A and B in partial DOS are also present to guide the eyes. The intensity of U-p and U-d partial DOS in subplot (b) were here multiplied by 5 and 2, respectively, to better distinguish each contribution. We refer to Figure 6 of the supporting information for the other calculated partial DOS.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 29| Part 1| January 2022| Pages 21-29
https://doi.org/10.1107/S1600577521012431
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