Comment on “Density functional investigation on electronic structure and elastic properties of BeX at high pressure”

Abstract

In the article ‘Density functional investigation on electronic structure and elastic properties of BeX at high pressure’ published in Indian Journal of Physics (Pagare et al., Indian J Phys 90 271, 2016), Pagare et al. have investigated the structural, electronic, thermal, elastic and mechanical properties of BeX (X = Co, Ni, Cu and Pd) intermetallic compounds at high pressure. We believe that the authors committed an error during the calculation of the crystal density of these compounds which affects the calculation of some other physical properties such as longitudinal, transverse and average elastic wave velocities, and Debye temperature. In this comment, we have reexamined all data again by using the right formulae, and the values of the lattice parameters and the elastic constants obtained by Pagare et al. We have found that the crystal density values obtained by Pagare et al. have been multiplied by four and the values of longitudinal, transverse and average elastic wave velocities and Debye temperature have been divided by two.