2026-06-10T10:56:28Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:847 2021-05-07T10:24:13Z openaire_data community-mcarchive

Schlipf, Martin Poncé, Samuel Giustino, Feliciano Schlipf, Martin Poncé, Samuel Giustino, Feliciano 2021-05-07 We elucidate the nature of the electron-phonon interaction in the archetypal hybrid perovskite CH₃NH₃PbI₃ using ab initio many-body calculations and an exactly solvable model. We demonstrate that electrons and holes near the band edges primarily interact with three distinct groups of longitudinal-optical vibrations, in order of importance: the stretching of the Pb-I bond, the bending of the Pb-I-Pb bonds, and the libration of the organic cations. These polar phonons induce ultrafast intraband carrier relaxation over timescales of 6–30 fs and yield polaron effective masses 28% heavier than the bare band masses. These findings allow us to rationalize previous experimental observations and provide a key to understanding carrier dynamics in halide perovskites. application/gzip text/markdown text/markdown https://doi.org/10.24435/materialscloud:wg-d5 oai:materialscloud.org:847 mcid:2021.71 eng Materials Cloud https://doi.org/10.1103/PhysRevLett.121.086402 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:h6-eg info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode Electron-phonon coupling First-principles calculations Semiconductors Perovskite CH3NH3PbI3 PRACE Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH₃NH₃PbI₃ from multiphonon Fröhlich coupling info:eu-repo/semantics/other