Polytypic nanowhiskers: electronic properties in the vicinity of the band edges

TL;DR

This paper presents a theoretical model using the k ot p method to analyze the electronic properties of polytypic zinc-blend/wurtzite nanowhiskers near the band edges, aligning predictions with experimental spectra.

Contribution

It introduces a novel k ot p-based approach to study electronic states at phase interfaces in polytypic nanowhiskers, providing insights into their optical properties.

Findings

Predicted energy transitions match experimental photoluminescence data.

Analyzed the composition of states at the aGammaa point and envelope function overlaps.

Provided a theoretical framework for designing nanowhiskers with tailored electronic properties.

Abstract

The increasing interest of nanowhiskers for technological applications has led to the observation of the zinc-blend/wurtzite polytypism. Polytypic nanowhiskers could also play, by their characteristics, an important role on the design of optical and electronic devices. In this work we propose a theoretical model to calculate the electronic properties of polytypic zinc-blend/wurtzite structure in the vicinity of the band edges. Our formulation is based on the $\vec{k} \cdot \vec{p}$ method connecting the irreducible representations in the interface of the two different crystalline phases by group theory arguments. Analyzing the composition of the states in the $\Gamma$ point and the overlap integrals of the envelope functions we predict energy transitions that agree with experimental photoluminescence spectra.