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

Figure 13

Calculated 1s XAS projections of a 1s2p RIXS for Ti⁴⁺ (3d⁰) scaling the octahedral crystal field parameter 10Dq from 0.1 eV to 3.0 eV with an energy level diagram as overlay. The splitting of the 3d level into the two peaks T_2g and E_g due to the crystal field is visible.