M. Abbate et al., SOFT-X-RAY ABSORPTION-SPECTROSCOPY OF VANADIUM-OXIDES, Journal of electron spectroscopy and related phenomena, 62(1-2), 1993, pp. 185-195
We present the V2p and O1s X-ray absorption spectra of V2O3, VO2 and V
2O5. The V2p spectra show strong multiplet effects caused by large 2p-
3d and 3d-3d Coulomb and exchange interactions. The spectra exhibit no
ticeable chemical shifts and completely different multiplets. The shap
es of the multiplet are related to the symmetry and spin of the ground
state. The V2p spectrum of V2O3 can be simulated by an atomic-multipl
et calculation projected in the appropriate crystal field. The O1s spe
ctra are related to unoccupied Op character mixed in the conduction ba
nd. The spectra reflect V3d bands near the edge and V4sp bands at high
er energies. The V3d bands are split by crystal field effects. Changes
in the relative intensities are related to differences in the metal-l
igand hybridization. The extra dispersion of the V3d bands in V2O3 is
attributed to larger metal-metal interactions. The O1s spectrum of VO,
compares favorably to a symmetry-projected band structure calculation
. Finally, the O1s spectra of VO, taken at room temperature (insulator
phase) and at T almost-equal-to 120-degrees-C (metallic phase) show c
learly the splitting of the V3d(parallel-to) band across the metal-ins
ulator transition.