Table 1. Parameters Used for Simulation of the NEXAFS Spectra.
valence | symmetry | 10 Dq | Δ | Udd | Upd | T (eg) | T (t2g) | color in figure |
---|---|---|---|---|---|---|---|---|
Ni2+ | Oh | 0.8 | 8 | 6 | 7 | 2 | 1 | blue |
Ni2+ | Oh | 0.8 | 1 | 0 | 0 | 1.5 | 1 | gray |
Co2+ | Oh | 0.8 | x | x | x | x | x | blue |
Mn2+ | Oh | 0.3 | x | x | x | x | x | blue |