Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2011-05-29
Physics
Condensed Matter
Strongly Correlated Electrons
4 pages, 4 figures, accepted for publication in J. Phys. Soc. Jpn
Scientific paper
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 trigonal crystal field. The trimer phase appears in the competing region among a paramagnetic metal, band insulator, and Mott insulator. The underlying mechanism is nesting instability of the Fermi surface by a synergetic effect of Coulomb interactions and trigonal-field splitting. The results are compared with experiments in triangularlattice compounds, LiVX2 (X=O, S, Se) and NaVO2.
Motome Yukitoshi
Yoshitake Junki
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