Article ID Journal Published Year Pages File Type
1654149 Materials Letters 2006 5 Pages PDF
Abstract

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.

Related Topics
Physical Sciences and Engineering Materials Science Nanotechnology
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