Trimer Formation and Metal--Insulator Transition in Orbital Degenerate Systems on a Triangular Lattice
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概要
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As a prototypical self-organization in the system with orbital degeneracy, we theoretically investigate trimer formation on a triangular lattice, as observed in LiVO2. From the analysis of an effective spin--orbital coupled model in the strong correlation limit, we show that the previously proposed orbital-ordered trimer state is not the lowest-energy state for a finite Hund's-rule coupling. Instead, exploring the ground state in a wide range of parameters for a multiorbital Hubbard model, we find an instability toward a different orbital-ordered trimer state in the intermediately correlated regime in the presence of a trigonal crystal field. The trimer phase appears in the competing region among a paramagnetic metal, band insulator, and Mott insulator. The underlying mechanism is the nesting instability of the Fermi surface owing to a synergetic effect of Coulomb interactions and trigonal-field splitting. The results are compared with experiments in triangular-lattice compounds, LiVX_{2} (X=\text{O}, S, Se) and NaVO2.
- 2011-07-15
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