Dynamical effective charges and dielectric constants in the pentanary alloy GaxIn1−xPySbzAs1−y−z lattice matched to InAs and GaSb

Pseudo-potential formalism under the virtual crystal approximation combined with the Harrison bond-orbital model is applied to the pentanary alloy GaxIn1−xPySbzAs1−y−z lattice matched to InAs and GaSb to predict its lattice dynamic and dielectric properties as a function of P mole fraction. To the best of our knowledge, such a study has never been previously reported for pentanary alloys. Results are presented for the polarity, ionicity, transverse effective charge, static and high-frequency dielectric constants and showed generally reasonable agreement with the experimental data which are only available for the binary compounds of interest. The results suggest that, for a proper choice of the substrate, x and z, GaxIn1−xPySbzAs1−y−z could provide more diverse opportunities to achieve desired dynamical effective charges and dielectric constants aiding therefore in the discovery of new materials with desired properties.