Insights into electron-lattice coupling, excitonic polarons and lattice polymorphism in 3D halide perovskites
Jacky even a, Simon thebaud a, Xu Zeli a, Laurent Pedesseau a, Marios Zacharias a, Mikael Kepenekian b, Georges Volonakis b, Claudine Katan b
a Univ Rennes, INSA Rennes, CNRS, Institut FOTON - UMR 6082, Rennes, France
b Univ Rennes, ENSCR, CNRS, ISCR − UMR 6226, F-35000 Rennes, France
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
Halide perovskites for quantum technologies - #PeroQuant25
Sevilla, Spain, 2025 March 3rd - 7th
Organizers: Grigorios Itskos, Claudine Katan and Gabriele Raino
Invited Speaker, Jacky even, presentation 351
DOI: https://doi.org/10.29363/nanoge.matsusspring.2025.351
Publication date: 16th December 2024

Perovskite quantum dots are attractive semiconductor nano-objects for quantum light emission. Although initial electronic and excitonic fine structure calculations were reasonably predictive for quantum confinement and magnetic field effects, questions related to the coupling of the quantum confined excitonic states to the lattice are still open. This presentation will give some insights on electron coupling to the lattice, excitonic polarons and lattice polymorphism in the 3D halide perovskites used as active materials in perovskite quantum dots. New results on the empirical modelling of Fröhlich excitonic polarons in the context of coupling to multiple phonons will be given. The refinement of empirical excitonic polaron models necessary to fully account for the variation of the exciton barycenter and reduced masses as a function of the coupling parameters will be described, The crossover from the weak coupling regime to the medium coupling regime for excitonic polarons will be quantified by the variations of  the virtual phonon populations, effective dielectric constants, barycenter and reduced masses and Huang-Rhys factors. The connection with  empirical modelling of free polarons will be proposed using Lee-low and Pines theory to define exciton binding energies and to stress the interplay between populations of virtual phonons and electron-hole correlations.

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