Optical Dielectric Functions of III-V Semiconductors in Wurtzite Phase

TL;DR

This paper predicts the frequency-dependent dielectric functions of nine non-Nitride wurtzite phase III-V semiconductors, providing insights into their optical anisotropy and polarization dependence relevant for nanowire applications.

Contribution

It introduces the first detailed calculations of dielectric functions for these wurtzite III-V semiconductors, incorporating corrections for core state contributions and polarization effects.

Findings

Dielectric functions vary with polarization and frequency.

Predicted dielectric properties align with experimental sum rules.

Provides data useful for understanding nanowire optical behavior.

Abstract

Optical properties of semiconductors can exhibit strong polarization dependence due to crystalline anisotropy. A number of recent experiments have shown that the photoluminescence intensity in free standing nanowires is polarization dependent. One contribution to this effect is the anisotropy of the dielectric function due to the fact that most nanowires crystalize in the wurtzite form. While little is known experimentally about the band structures wurtzite phase III-V semiconductors, we have previously predicted the bulk band structure of nine III-V semiconductors in wurtzite phase.Here, we predict the frequency dependent dielectric functions for nine non-Nitride wurtzite phase III-V semiconductors (AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs and InSb). Their complex dielectric functions are calculated in the dipole approximation by evaluating the momentum matrix elements on a dense grid of special k-points using empirical pseudopotential wave functions. Corrections to the momentum matrix elements accounting for the missing core states are made using a scaling factor which is determined by using the optical sum rules on the calculated dielectric functions for the zincblende polytypes. The dielectric function is calculated for polarizations perpendicular and parallel to the c-axis of the crystal.