Journal of the Physical Society of Japan
Online ISSN : 1347-4073
Print ISSN : 0031-9015
ISSN-L : 0031-9015
Quantum Effects on the Orientational Ordering of H2S and D2S Molecules Enclosed in β -Quinol Clathrate
Shoji HirokawaTomoko ImasakaTakasuke Matsuo
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1994 年 63 巻 2 号 p. 593-601

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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 R1 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 R1 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.
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© The Physical Society of Japan 1994
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