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フルテキストURL2007010093.pdf ( 788.9KB ) 公開日 2010-04-16
タイトルQuasiharmonic approximation for a double Morse-type local potential model : Application to a KH2PO4-type phase diagram
作成者Tchouobiap, S. E. Mkam
Mashiyama, Hiroyuki
作成者ヨミマシヤマ, ヒロユキ
作成者別表記増山, 博行
作成者所属山口大学大学院理工学研究科(理学)
内容記述(抄録等)In order to describe a structural phase transition at low temperature, a quantum particle within a local potential is considered. According to the general formalism presented by Salje et al. [Z. Phys. B 82, 399 (1991)], a quasiharmonic approximation is applied to the local potential and the interaction is replaced by the mean field one. The rigorous effective potential is reduced from a double Morse-type potential. The order parameter, the variance, and the effective soft frequency are given by analytic equations with potential parameters. As an application, a molecular motion of H2PO4 in KDP is considered and the disappearance of the ordered phase at low temperature under high pressure is discussed. The difference between KDP and DKDP crystals are described successfully by the presented model.
本文言語eng
資料タイプtext
ファイル形式application/pdf
出版者American Physical Society
NII資料タイプ学術雑誌論文
査読の有無査読あり
掲載誌名Physical Review. Third series. B, Condensed matter and materials physics
76
1
開始ページ14101
発行日2007-07
DOIinfo:doi/10.1103/PhysRevB.76.014101
関連情報URL(IsPartOf)http://prb.aps.org/
著者版/出版社版出版社版
備考[ページ]の”014101”は論文番号
リポジトリID2007010093
地域区分山口大学
URIhttp://www.lib.yamaguchi-u.ac.jp/yunoca/handle/2007010093