Fig. 3: Fingerprints of Pr-4f/O-2p hybridization from X-ray scattering spectra.
From: Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials
a, b Isotropic XAS (top) and XMCD (bottom) spectra at the Pr M5 and M4 edges for 2-Pr (left) and 0-Pr (right), respectively measured using the Scanning Transmission X-Ray Microscope (STXM) mode (XAS, μ0H = 0 T and T = 300 K) and the total electron tield (TEY) mode (XMCD, μ0H = 5 T and T = 20 K). For the XAS spectra, first-principle calculations (CI under AIM framework) are shown as orange sticks with Gaussian and Lorentzian broadening. For the XMCD spectra, the integration range for the sum-rule analysis is shown as a purple shaded region. c, d Isotropic XAS spectra at the oxygen K edge for 2-Pr (left) and 0-Pr (right), both measured in STXM mode (T = 300 K). The peak corresponding to Pr-4f/O-2p hybridization is shown in yellow. For comparison, reference data on PrO228 is shown in Table. S2 and Fig. S4 and S8.
