Mean-Field Theory of the Orientational Ordering of Dipolar Guest Molecules in β-Hydroquinone Clathrate of SO_2 and D_2S

Tomoko Imasaka, Shoji Hirokawa

Research output: Contribution to journalArticle

Abstract

A clathrate consists of both a `host' system and a `guest' system composed of the enclosed molecules. Treating the guest system as a diluted dipolar one, we have investigated the effects on orientational phase transitions of the cavity occupancy x, a crystal field W due to host molecules, the difference between atom-atom potentials and the ignorance of those contributions by the host system which are not involved in W. It is shown that self-consistency makes the transition temperature T<FONT SIZE="-1"><SUB>c</SUB></FONT> a nonlinear function of x. The occurrence of a successive phase transition is shown to depend on the higher order terms of W and on the difference in the potential model. It is also clarified that the host system may affect the estimation of T<FONT SIZE="-1"><SUB>c</SUB></FONT>. We have further investigated to what extent classical statistical mechanics is applicable at low temperatures. Results are discussed in relation to the experiments.
Original languageEnglish
Pages (from-to)2603-2612
Number of pages10
Journaljournal of the physical society of japan
Volume70
Issue number9
DOIs
Publication statusPublished - Sep 15 2001
Externally publishedYes

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