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• W1978131034 startingPage "152" @default.
• W1978131034 abstract "The metal–insulator (M–I) transitions in VO 2 and Ti 2 O 3 were investigated using the three-band Hubbard model in connection with the on-site exchange interaction and lattice distortions. Although these two compounds have different crystal structures, the mechanism of the phase transitions can be understood from a unified viewpoint; an increase in energy level separation among the t 2 g orbitals caused by the lattice distortion triggers an abrupt change in the electron configuration in doubly occupied sites from an S =1 Hund's coupling state to a low-spin S =0 state with much larger energy and this strongly suppresses the charge fluctuation, resulting in localization of electrons. These M–I transitions are not induced by an increase in relative strength of the Coulomb interaction against the electron hopping as in the conventional scenario of the Mott–Hubbard transition but by the level splitting among the t 2 g orbitals against the on-site exchange interaction. Switching of the nearest-neighbor spin and orbital correlations and large change in the orbital occupation occur at the M–I transitions. Observation of the change in the orbital occupation at the M–I transitions by the linear dichroic V or Ti 2 p x-ray absorption spectroscopy can be a crucial check to this theory." @default.
• W1978131034 created "2016-06-24" @default.
• W1978131034 creator A5054430046 @default.
• W1978131034 date "2004-01-15" @default.
• W1978131034 modified "2023-09-25" @default.
• W1978131034 title "On the Metal–Insulator Transitions in VO₂and Ti₂O₃from a Unified Viewpoint" @default.
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• W1978131034 doi "https://doi.org/10.1143/jpsj.73.152" @default.
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