Elastic properties of chalcopyrite structured solids

Elastic properties (i.e. six independent elastic stiffness constants, C11, C12, C13, C33, C44 and C66) of chalcopyrite structured solids were evaluated. Values of C11, C33, C44, C66, of AIBIIIC2VI and AIIBIVC2V chalcopyrite semiconductors exhibit a linear relationship when plotted against the kBTm/Ω (kB = Boltzmannʹs constant, Tm = melting temperature, Ω = atomic volume) normalization, but fall on two straight lines according to the product of ionic charges of the compounds. The calculated results are compared with available experimental data and previous calculations based on phenomenological models.