Description of Excitonic Absorption Using the Sommerfeld Enhancement Factor and Band-Fluctuations

TL;DR

This paper introduces a simple band-fluctuations model to accurately determine exciton binding energies and bandgaps in materials like GaAs and perovskites, aligning well with experimental and theoretical data.

Contribution

It proposes an analytic approach based on the bands-fluctuations model that simplifies extraction of exciton binding energies and bandgaps, improving upon existing models.

Findings

Accurately determined bandgaps and exciton binding energies for GaAs and perovskites

Results agree with previous experimental and theoretical reports

Upper bounds for exciton-polaron binding energies are consistent with optical data

Abstract

One of the challenges of excitonic materials is the accurate determination of the exciton binding energy and bandgap. The difficulty arises from the overlap of the discrete and continuous excitonic absorption at the band edge. Many researches have modeled the shape of the absorption edge of such materials on the Elliott model and its several modifications such as non-parabolic bands, magnetic potentials and electro-hole-polaron interactions. However, exciton binding energies obtained from measured data often vary strongly depending on the chosen model. Here, we propose an alternative and rather simple approach, which has previously been successful in the determination of the optical bandgap of amorphous, direct and indirect semiconductors, based on the bands-fluctuations (BF) model. In this model, the fluctuations due to disorder, temperature or lattice vibrations give rise to the well known exponential distribution of band tail states (Urbach tails). This analysis results in an analytic equation with 5 parameters only. The binding energies and optical bandgaps of GaAs and the family of tri-halide perovskites ($\textrm{MAPbX}_{3}$), $\textrm{X=Br,I,Cl}$, over a wide range of temperatures, are obtained with this model. The results for the bandgap, linewidth and exciton binding energy are in good agreement with previous reports. Moreover, due to the polar nature of perovskites, the obtained binding energies can be compared with the ones computed with a theoretical model for polar materials via a model proposed by Kane et al. In this model, the exciton is surrounded by a cloud of virtual phonons interacting via the Fr$\ddot{\textrm{o}}$lich interaction. As a consequence, the upper bound for the binding energy of the exciton-polaron system is calculated. Coincidentally, these results are in good agreement with the optical constants obtained with the EBF model.