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Phys. Rev. B 61, 11506–11509 (2000)

Spin and orbital occupation and phase transitions in V2O3

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J.-H. Park*
Randall Laboratory, University of Michigan, Ann Arbor, Michigan 48109;
AT&T Bell Laboratories, Murray Hill, New Jersey 07974;
National Synchrotron Light Source, Brookhaven National Laboratory, Upton, New York 11973

L. H. Tjeng
Randall Laboratory, University of Michigan, Ann Arbor, Michigan 48109
Solid State Physics Laboratory, Materials Science Centre, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

A. Tanaka
Department of Materials Science, Faculty of Science, Hiroshima University, Higashi-Hiroshima 724, Japan

J. W. Allen
Randall Laboratory, University of Michigan, Ann Arbor, Michigan 48109

C. T. Chen†
AT&T Bell Laboratories, Murray Hill, New Jersey 07974

P. Metcalf and J. M. Honig
Department of Chemistry, Purdue University, West Lafayette, Indiana 47907

F. M. F. de Groot and G. A. Sawatzky
Solid State Physics Laboratory, Materials Science Centre, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

Received 6 January 2000; published in the issue dated 1 May 2000

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 3d2 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 a1g 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.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.61.11506
DOI:
10.1103/PhysRevB.61.11506
PACS:
75.10.-b, 72.80.Ga, 71.30.+h, 78.70.Dm

*Present address: Department of Physics, POSTECH, Pohang 790-784, Korea.

†Present address: Synchrotron Radiation Research Center, Hsinchu Science-Based Industrial Park, Hsinchu 30077, Taiwan.

 
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