Charge and Orbital Ordering in the Triangular-Lattice t_{2g}-Orbital System in One Dimension: A Possible Ground State of Bi_xV_8O_{16}

Details Charge and Orbital Ordering in the Triangular-Lattice t_{2g}-Orbital System in One Dimension: A Possible Ground State of Bi_xV_8O_{16} Charge and Orbital Ordering in the Triangular-Lattice t_{2g}-Orbital System in One Dimension: A Possible Ground State of Bi_xV_8O_{16}

2001-10-10

arxiv.org/abs/cond-mat/0110197v1

J. Phys. Soc. Jpn. 71, 513-518 (2002)

Physics

Condensed Matter

Strongly Correlated Electrons

6 pages, 7 eps figures, submitted to J. Phys. Soc. Jpn

Scientific paper

10.1143/JPSJ.71.513

We consider the possible charge and orbital ordering in a Hollandite compound Bi_xV_8O_{16}, which is a new one-dimensional triangular-lattice t_{2g}-orbital system. Using the strong-coupling perturbation theory, we derive the effective spin-orbit Hamiltonian in the approximation neglecting the small off-diagonal hopping parameters or orbital fluctuation, whereby we obtain the spin Hamiltonians in the partial space of each orbital-ordering pattern. We then apply an exact-diagonalization technique on small clusters to these spin Hamiltonians and calculate the ground-state phase diagram. We find that a variety of orbital-ordering patterns appear in the parameter space, which include the state characterized by the partial singlet formation consistent with recent NMR experiment.

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