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

Figure 21

Influence of the O_h crystal field on the 1s XAS projection of the calculated 1s2p RIXS spectra for () with ELD overlay. A comparison to the calculated 1s XAS projections now shows on the one hand that neglecting 3d SOC in this step is a valid approximation. And on the other hand, it confirms that a quadrupole transition from the ground state symmetry can reach , E_g, , and symmetries, but the symmetry does apparently not contribute to the spectrum.