Figure 3
(a) Uranium L3-edge HERFD-XANES and the corresponding simulated spectrum using FDMNES. (b, c) Calculated U-d, U-f and O-p partial DOS, here expressed as cubic harmonics (except U-f), 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, A, B and C in partial DOS are also present to guide the eyes. We refer to Figure 6 of the supporting information for the other calculated partial DOS. |