1s2p RIXS Calculations for 3d Transition Metal Ions in Octahedral Symmetry

Figure 14

(a) Calculation of the 1s2p RIXS spectra for Ti⁴⁺ (3d⁰) with separated into the quadrupole components (with , 1 and ) in spherical symmetry. They translate into the and IRREPs describing the quadrupole 1s XAS transitions. The term scheme insets illustrate the corresponding pathways. (b) The corresponding 2p XES projections onto the energy transfer axis for the two quadrupole components and the calculated 2p XAS (L_2,3-edge).

(a)

(b)