Journal of Chemistry

Journal of Chemistry / 2005 / Article

Open Access

Volume 2 |Article ID 913794 | https://doi.org/10.1155/2005/913794

Thresiamma Phlip, C. S. Menon, K. Indulekha, "Higher Order Elastic Constants, Gruneisen Parameters and Lattice Thermal Expansion of Trigonal Calcite", Journal of Chemistry, vol. 2, Article ID 913794, 11 pages, 2005. https://doi.org/10.1155/2005/913794

Higher Order Elastic Constants, Gruneisen Parameters and Lattice Thermal Expansion of Trigonal Calcite

Received23 May 2005
Accepted27 Sep 2005

Abstract

The second- and third-order elastic constants of trigonal calcite have been obtained using the deformation theory. The strain energy density derived using the deformation theory is compared with the strain dependent lattice energy obtained from the elastic continuum model approximation to get the expressions for the second- and third-order elastic constants. Higher order elastic constants are a measure of the anharmonicity of a crystal lattice. The seven second-order elastic constants and the fourteen non-vanishing third-order elastic constants of trigonal calcite are obtained. The second-order elastic constants C11, which corresponds to the elastic stiffness along the basal plane of the crystal is greater than C33, which corresponds to the elastic stiffness tensor component along the c-axis of the crystal. First order pressure derivatives of the second-order elastic constants of calcite are evaluated. The higher order elastic constants are used to find the generalized Gruneisen parameters of the elastic waves propagating in different directions in calcite. The Brugger gammas are evaluated and the low temperature limit of the Gruneisen gamma is obtained. The results are compared with available reported values.

Copyright © 2005 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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