Eur. Phys. J. Appl. Phys.
Volume 44, Number 2, November 2008
|Page(s)||125 - 129|
|Section||Organic Materials and Devices|
|Published online||04 October 2008|
Pressure effect on the structural and elastic properties of ternary compounds M2AlC (M = Ti, V, Nb, and Ta); ab initio study
Department of Physics, Faculty of sciences, University of Setif, Algeria
Corresponding author: firstname.lastname@example.org
Revised: 3 July 2008
Accepted: 11 August 2008
Published online: 4 October 2008
Using ab initio calculations, we have performed a study of the hydrostatic pressure effect on the equilibrium volume, lattice parameters, elastic modulus, and elastic anisotropy of selected M2AlC phases with M = Ti, V, Nb, and Ta. The deviations of our calculated volume change are lower than 3% comparing with experimental measurement, lead to a discrepancy in the bulk modulus less than 15%. Our results show a linear pressure dependence of the elastic modulus and the bulk modulus. Shear elastic anisotropy factor increase with the pressure enhancement, while the compressibility anisotropy remains constant around weak values.
PACS: 62.20.-x – Mechanical properties of solids / 61.50.Lt – Crystal binding; cohesive energy
© EDP Sciences, 2008
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