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A critical review of the experimental data of elastic stiffness constants of AgGaX[sub 2] and CuInX[sub 2] (X = S,Se) chalcopyrites is given. Using the ab initio pseudopotential method, their elastic constants have been calculated from strain-energy and from strain-stress relationships. On the basis of the linear elasticity approximation, axial and total compressibilities as well as elastic anisotropy factors have been derived. The calculated results are compared with available experimental data and previous calculations based on phenomenological models. [ABSTRACT FROM AUTHOR]

The first principles plane-wave pseudopotential calculations based on density functional theory were used to determine structural and electronic properties of CuInS[sub 2] semiconducting chalcopyrite. The Born effective charges were obtained using Berry phase method. Phonon dispersion relations were evaluated from Hellmann-Feynman forces with the direct method. The elastic constants were derived from the stress-strain relationships. The calculated quantities agree well with available experimental data. [ABSTRACT FROM AUTHOR]