Quantum Effects on the Orientational Ordering of H2S and D2S Molecules Enclosed in β-Quinol Clathrate

Shoji Hlrokawa, Tomoko Imasaka, Takasuke Matsuo

    Research output: Contribution to journalArticlepeer-review

    5 Citations (Scopus)

    Abstract

    A system of planar rotators representing H2s and D2s molecules is investigated quantum-statistically, using the mean-field approximation based on an eight-sublattice model. The equilibrium molecular orientation is determined by competition among the dipole-dipole interaction between guest molecules, the host-guest interaction and the quantum kinetic energy. The system has a complex order parameter describing an average direction of dipoles. Both Rl and R3 structures and the effect of the depolarization field are studied. A comparison with experiment by use of theoretical phase diagrams gives: the low-temperature phase has the Rl structure with an antiferroelectric order of dipoles; the direction and arrangement of dipoles in equilibrium for H2S significantly differ from those for D2S because of the quantum nature of the rotational motion.

    Original languageEnglish
    Pages (from-to)593-601
    Number of pages9
    Journaljournal of the physical society of japan
    Volume63
    Issue number2
    DOIs
    Publication statusPublished - Jan 1 1994

    All Science Journal Classification (ASJC) codes

    • Physics and Astronomy(all)

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