| Issue |
Eur. Phys. J. Appl. Phys.
Volume 44, Number 2, November 2008
|
|
|---|---|---|
| Page(s) | 125 - 129 | |
| Section | Organic Materials and Devices | |
| DOI | https://doi.org/10.1051/epjap:2008162 | |
| Published online | 04 October 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
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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