Finite-Temperature Phase Diagram of Quasi-One-Dimensional Molecular Conductors: Quantum Monte Carlo Study

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  • Otsuka Yuichi
    CREST, Japan Science and Technology Agency Synchrotron Radiation Research Center, Japan Atomic Energy Agency, SPring-8
  • Seo Hitoshi
    Synchrotron Radiation Research Center, Japan Atomic Energy Agency, SPring-8
  • Motome Yukitoshi
    Department of Applied Physics, University of Tokyo
  • Kato Takeo
    Institute for Solid State Physics, University of Tokyo

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Finite-temperature phase transitions in quasi-one-dimensional quarter-filled systems are investigated using the extended Hubbard model with electron–lattice coupling. By a quantum Monte Carlo method combined with interchain mean-field approximation, we clarify competing and coexisting behaviors among charge ordering, dimer Mott, and spin-Peierls states. It is pointed out that an anharmonicity of lattice distortions plays an important role in multicritical behaviors. The results are compared with experimental data for quasi-one-dimensional molecular conductors such as DCNQI and TMTTF compounds.

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