Excitons in layered metal halide perovskites: an effective mass description of polaronic, dielectric and quantum confinement effects

TL;DR

This paper develops a theoretical model to analyze excitons in layered metal halide perovskites, incorporating polaronic, dielectric, and quantum confinement effects to explain experimental observations.

Contribution

It introduces an effective mass theory-based model that captures polaronic, dielectric, and quantum effects in layered perovskites, aligning well with experimental data.

Findings

Quantum confinement squeezes exciton radius in layered perovskites.

Polaronic effects increase exciton binding energies and radiative probabilities.

Model predictions agree with atomistic simulations and experimental data.

Abstract

A theoretical model for excitons confined in layered metal halide perovskites is presented. The model accounts for polaronic effects, dielectric and quantum confinement by means of effective mass theory, image charges and Haken potentials. We use it to describe the band edge exciton of MAPbI$_3$ structures surrounded by organic ligands. It is shown that the quasi-2D quantum and dielectric confinement of layered perovskites squeezes the exciton radius, and this in turn enhances polaronic effects as compared to 3D structures. The strong polaronic effects boost the binding energies and radiative recombination probabilities, which allows one to match experimental data in related systems. The thickness dependence of Coulomb polarization and self-energy potentials is in fair agreement with sophisticated atomistic models.