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Journal Article

Spin and orbital occupation and phase transitions in V2O3

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Park, J.-H., Tjeng, L. H., Tanaka, A., Allen, J. W., Chen, C. T., Metcalf, P., et al. (2000). Spin and orbital occupation and phase transitions in V2O3. Physical Review B, 61(17), 11506-11509. doi:10.1103/PhysRevB.61.11506.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-1DCE-2
Polarization dependent x-ray-absorption measurements were performed on pure and Cr-doped V2O3 single crystals in the antiferromagnetic insulating, paramagnetic insulating, and metallic phases. The orbital occupation of the V 3d(2) ion is found to depend appreciably on the phase, but always with the S= 1 character, requiring an explanation which is beyond the elegant simplicity of the pure one-band Hubbard model or of models in which the a(1g) orbital is projected out by means of a simple dimerization. The results reveal the critical role of the spin and orbital dependence of the on-site 3d-3d Coulomb energy, and a mechanism is proposed to explain the closing or opening of the band gaps which are of much higher energy scale than the transition temperatures.