Quantum Monte Carlo study of molecular polarization and antiferroelectric ordering in squaric acid crystals

DOI Web Site Web Site 被引用文献2件 参考文献29件 オープンアクセス

書誌事項

公開日
2011-08-26
資源種別
journal article
権利情報
  • http://link.aps.org/licenses/aps-default-license
DOI
  • 10.1103/physrevb.84.064120
公開者
American Physical Society (APS)

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説明

Effects of geometrical frustration and quantum fluctuation are theoretically investigated for the proton ordering in a quasi-two-dimensional hydrogen-bonded system, namely a squaric acid crystal. We elucidate the phase diagram for an effective model, the transverse-field Ising model on a frustrated checkerboard lattice, by using quantum Monte Carlo simulation. A crossover to a liquidlike paraelectric state with well-developed molecular polarizations is identified, distinguishably from long-range ordering. The emergence of long-range order from the liquidlike state exhibits peculiar aspects originating from the lifting of quasimacroscopic degeneracy, such as colossal enhancement of the transition temperature and a vanishingly small anomaly in the specific heat.

収録刊行物

  • Physical Review B

    Physical Review B 84 (6), 2011-08-26

    American Physical Society (APS)

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