A Unified Description of Electron-Phonon Coupling and Ion Migration in Metal Halide Perovskites

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The remarkable optoelectronic properties of metal halide perovskites are closely linked to their unusually soft and polar chemical bonds that enable both strong electron-phonon interactions and ion migration. Yet these two defining characteristics have largely been treated as independent consequences of the same underlying chemical bonding. Here we show that they originate from a common electronic-structure framework by developing a general description linking lattice dynamics, electron-phonon coupling, and halide ion migration across representative Pb-based, Sn-based, and double perovskites. Spectrally resolved phonon-mode contributions demonstrate that the low-frequency shearing modes dominate halide migration, whereas high-frequency stretching modes govern carrier scattering through the Fröhlich interaction in all three compositions. We introduce an orbital hybridization descriptor to unify these findings, which connects metal-halide bonding characteristics with the migration barrier energies and Fröhlich coupling strengths, indicating a cooperative evolution of these two properties. These findings provide a generalized microscopic mechanism for simultaneously optimizing charge and ionic transport in soft semiconductors.