Abstract

We present a complete first-principles study of trends in the lattice dynamics of tetrahedral semiconductors in the zinc-blende or diamond structure, using the plane-wave pseudopotential method within density-functional perturbation theory. The interatomic force constants of the different materials have been obtained and analyzed, especially concerning the scaling properties with the lattice parameter. The effect of long-range forces on the lattice dynamics of these materials is discussed in terms of the Born effective charges. We also present an overview of vibrational properties such as phonon-dispersion curves and eigenvector phases. Finally, we show the results of the calculation of some linear and nonlinear elastic constants for the studied class of materials.

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