Eur. Phys. J. Appl. Phys. 44, 125-129 (2008)
https://doi.org/10.1051/epjap:2008162

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: djmaouche@yahoo.fr

Received: 3 March 2008
Revised: 3 July 2008
Accepted: 11 August 2008
Published online: 4 October 2008

Abstract

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.