Pressure effect on the structural and elastic properties of ternary compounds M2AlC (M = Ti, V, Nb, and Ta); ab initio study

被引：7
作者：
Medkour, Y.
Roumili, A.
Maouche, D.
机构：
[1] Department of Physics, Faculty of Sciences, University of Setif
来源：
EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS | 2008年 / 44卷 / 02期
关键词：
D O I：
10.1051/epjap:2008162
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
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.
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页码：125 / 129
页数：5
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