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

Shoji Hlrokawa, Tomoko Imasaka, Takasuke Matsuo

研究成果: ジャーナルへの寄稿記事

4 引用 (Scopus)

抄録

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.

元の言語英語
ページ(範囲)593-601
ページ数9
ジャーナルjournal of the physical society of japan
63
発行部数2
DOI
出版物ステータス出版済み - 1 1 1994

Fingerprint

clathrates
dipoles
molecules
depolarization
sublattices
kinetic energy
phase diagrams
interactions
approximation

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

これを引用

Quantum Effects on the Orientational Ordering of H2S and D2S Molecules Enclosed in β-Quinol Clathrate. / Hlrokawa, Shoji; Imasaka, Tomoko; Matsuo, Takasuke.

:: journal of the physical society of japan, 巻 63, 番号 2, 01.01.1994, p. 593-601.

研究成果: ジャーナルへの寄稿記事

@article{3ff36f4be0bd49dba15318ae6d75695f,
title = "Quantum Effects on the Orientational Ordering of H2S and D2S Molecules Enclosed in β-Quinol Clathrate",
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.",
author = "Shoji Hlrokawa and Tomoko Imasaka and Takasuke Matsuo",
year = "1994",
month = "1",
day = "1",
doi = "10.1143/JPSJ.63.593",
language = "English",
volume = "63",
pages = "593--601",
journal = "Journal of the Physical Society of Japan",
issn = "0031-9015",
publisher = "Physical Society of Japan",
number = "2",

}

TY - JOUR

T1 - Quantum Effects on the Orientational Ordering of H2S and D2S Molecules Enclosed in β-Quinol Clathrate

AU - Hlrokawa, Shoji

AU - Imasaka, Tomoko

AU - Matsuo, Takasuke

PY - 1994/1/1

Y1 - 1994/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0042642287&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0042642287&partnerID=8YFLogxK

U2 - 10.1143/JPSJ.63.593

DO - 10.1143/JPSJ.63.593

M3 - Article

VL - 63

SP - 593

EP - 601

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

SN - 0031-9015

IS - 2

ER -