New Empirical models for excitonic polarons induced by multiple polar modes and abinitio approach to optoelectronic properties in locally disordered 3D halide perovskites
ORAL
Abstract
The presentation will present recent approaches on the effect of carrier-lattice coupling, exciton complexes and strong lattice anharmonicity on the optoelectronic properties of 3D halide perovskites . The early theoretical prediction and experimental demonstration of screening of electron-hole interactions by charge carrier-lattice coupling in 3D perovskites, was example crucial to explain why photocarrier collection is possible at RT in 3D perovskites and how solar cell architectures could evolve toward much thicker active layers. The evaluation of carrier-lattice remain challenging due to the complexity of the lattice fluctuations, including both deterministic and stochastic motions, overdamped phonons and relaxational motions covering a wide range of frequency.
*J.E. acknowledges financial support from the Institut Universitaire de France. DFT calculations were performed at Institut FOTON, and the work was granted access to the HPC resources of TGCC/CINES under the allocation 2024-A0160911434 and 2025-A0180911434 made by GENCI.
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Publication: J Even, S Thebaud, A Rajan Kshirsagar, Z Xu, L Pedesseau, M Zacharias, Claudine Katan. Theoretical approaches to Fröhlich excitonic polarons in polar semiconductors. https://arxiv.org/abs/2505.07406
M Zacharias and J Even. Local Structural Disorder in Crystalline Materials, ACS Energy Letters, October 22, 2025, 10.1021/acsenergylett.5c02706
Presenters
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Jacky Even
- INSA Rennes FOTON CNRS
- INSA Rennes