The elastic, electronic, and vibrational properties of TiSiSb, TiGeSb, ZrSisb, ZrGeSb, HfSiSb, and HfGeSb compounds

In this study of the structural, electronic, elastic and vibrational properties of TiSiSb, TiGeSb, ZrSiSb, ZrGeSb, HfSiSb and HfGeSb compounds in tetragonal structure have been investigated by using the first principles method based on density functional theory. The lattice parameters, band structures, elastic constants, bulk modulus, Young's modulus, shear modulus, poisson's ratios, hardness, Debye temperatures, sound velocities, anisotropy factors, phonon dispersion curves, and density of states for these compounds have been calculated and commented. Furthermore, the pressure and directional dependence of some mechanical properties have been analyzed. We have also made some comparisons with the available experimental data. The all compounds exhibit mechanical and dynamical stability.