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Elastic Constants and Pressure Derivatives of Calcium Oxide

DOI: 10.4236/oalib.1100648, PP. 1-7

Subject Areas: Condensed State Physics, Computational Chemistry, Composite Material, Environmental Chemistry

Keywords: Anharmonic Properties, Higher Order Elastic Constants, Pressure Derivatives, CaO

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Abstract

The electrostatic and Born-Mayer repulsive potentials method was used to calculate the higher order elastic constants and pressure derivatives of alkaline-earth oxide CaO in a wide temperature range (100 - 1000 K). The calculations have been made starting from primary physical parameters viz. nearest-neighbour distance and hardness parameter assuming long- and short- range potentials. The different results of the calculations are compared with experimental data and discussed.

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Raju, K. M. (2014). Elastic Constants and Pressure Derivatives of Calcium Oxide. Open Access Library Journal, 1, e648. doi: http://dx.doi.org/10.4236/oalib.1100648.

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