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Phys Rev Lett. 2012 Jun 15;108(24):247215. Epub 2012 Jun 15.

Orbital disorder induced by charge fluctuations in vanadium spinels.

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Theoretical Division, T4 and CNLS, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.


Motivated by recent experiments on vanadium spinels, AV2O4, that show an increasing degree of electronic delocalization for smaller cation sizes, we study the evolution of orbital ordering (OO) between the strong and intermediate-coupling regimes of a multiorbital Hubbard Hamiltonian. The underlying magnetic ordering of the Mott insulating state leads to a rapid suppression of OO due to enhanced charge fluctuations along ferromagnetic bonds. Orbital double occupancy is rather low at the transition point indicating that the system is in the crossover region between strong and intermediate-coupling regimes when the orbital degrees of freedom become disordered.

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