Pressure effect on the structural and elastic property of Hf2InC

Abstract Using plane-wave pseudopotential (PW-PP) method based on the density functional theory (DFT) within the Local Density Approximation (LDA), we have performed a study of the structural and elastic properties of selected Hf 2 InC compound belonging to the so-called MAX phases. The calculated equilibrium lattice parameters are in accordance with the experimental results. The result of high pressures on the lattice parameter shows that the contractions along the c -axis were more than along the a -axis. In order to gain further information on the mechanical properties, we have also calculated the anisotropy factor, Poison's ratio, Young's modulus, sound velocities and Debye temperature for Hf 2 InC.