中心对称离子固体的n阶弹性常数

M. Mohajeri, H.A. Rafizadeh
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引用次数: 1

摘要

用中心晶体势展开法推导了离子中心对称固体的n阶弹性常数表达式。碱卤化物的三阶弹性常数的库仑贡献与Nran'yan和Ghate的计算结果相比较,差异达139%。结果表明,这种分歧可能是由于先前计算中的库仑和收敛性差造成的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The nth-order elastic constants of centrosymmetric ionic solids

Expressions for the nth-order elastic constants of ionic centrosymmetric solids have been developed using a central crystal-potential expansion. The comparison of the Coulomb contribution to the third-order elastic constants of alkali halides with calculations of Nran'yan and Ghate show disagreements as large as 139%. It is shown that the disagreements may be due to the poor convergence of the Coulomb sums in the previous calculations.

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