Title of article
Contribution of the multipole polarization to the elastic constants in fluorite structure crystals
Author/Authors
Itsuki، نويسنده , , Kazuya and Michihiro، نويسنده , , Yoshitaka and Endou، نويسنده , , Shigeki and Nakamura، نويسنده , , Koichi and Ohno، نويسنده , , Takashi، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2009
Pages
5
From page
457
To page
461
Abstract
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 C11, C12, and C44 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.
Keywords
Violation of the Cauchy relation , Elastic constant , Fluorite structure crystal , Multipole polarizability , Self-consistent field local density approximation
Journal title
Solid State Ionics
Serial Year
2009
Journal title
Solid State Ionics
Record number
1721202
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