論文

査読有り
2009年5月

Contribution of the multipole polarization to the elastic constants in fluorite structure crystals

SOLID STATE IONICS
  • Kazuya Itsuki
  • ,
  • Yoshitaka Michihiro
  • ,
  • Shigeki Endou
  • ,
  • Koichi Nakamura
  • ,
  • Takashi Ohno

180
6-8
開始ページ
457
終了ページ
461
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.ssi.2008.09.020
出版者・発行元
ELSEVIER SCIENCE BV

Numerical calculations are presented for the contribution of the multipole polarization to the elastic constants in fluorite structure crystals. The multipole polarizability is calculated by the self-consistent field treatment of the local density approximation and the spherical solid model. The elastic constants are significantly affected by the multipole polarization of the ions. The contributions of the multipole polarization of the ions to the elastic constant C-11, C-12, and C-44 are about 25%, 40% and 20% of the experimental values, respectively. The calculated values of the deviation from the Cauchy relation are in good agreement with the experimental values. (C) 2008 Elsevier B.V. All rights reserved.

リンク情報
DOI
https://doi.org/10.1016/j.ssi.2008.09.020
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000266764100004&DestApp=WOS_CPL
ID情報
  • DOI : 10.1016/j.ssi.2008.09.020
  • ISSN : 0167-2738
  • eISSN : 1872-7689
  • Web of Science ID : WOS:000266764100004

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