Modelization of charge carriers mobilities in halide perovskites: Fröhlich scattering and quantum localization effects in a dynamic disorder regime

Abstract

We analyze the quantum transport properties of MAPbI3 within a tight-binding model. Charge carriers are strongly scattered by the Fröhlich interaction with longitudinal optical phonon modes. This limits their mobilities at room temperature to the order of 200 cm${}^2$/Vs. In the presence of additional extrinsic disorder the mobility decreases and a large fraction of the electronic states at band edges can be localized. These states would be insulating if the lattice were static, but their localization is broken by the dynamic disorder induced by the vibrations of the longitudinal optical modes. This process of electrons and holes diffusion, driven by the lattice dynamics, contributes to the unique electronic properties of this material.

arXiv comment9 pages, 7 figures

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Cited by in corpus (16)

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• The tetragonal phase of CH${}_3$NH${}_3$PbI${}_3$ is strongly anharmonic
• Polaron Masses in CH3NH3PbX3 Perovskites Determined by Landau Level Spectroscopy in Low Magnetic Fields
• Displaced Drude peak and bad metal from the interaction with slow fluctuations
• Quantifying polaronic effects on charge-carrier scattering and mobility in lead--halide perovskites
• Tight-binding description of inorganic lead halide perovskites in cubic phase
• Quantum-Acoustical Drude Peak Shift
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• Electronic structure and conductivity in functionalized multilayer black phosphorene
• Thermal fluctuations and carrier localization induced by dynamic disorder in MAPbI3 described by a first-principles based tight-binding model
• Rise and Fall of Anderson Localization by Lattice Vibrations: A Time-Dependent Machine Learning Approach
• Electronic transport properties and quantum localization effects monitored by selective functionalization in Bernal bilayer graphene
• Electronic structure and transport in materials with flat bands: 2D materials and quasicrystals
• High-temperature transport and polaron speciation in the anharmonic Holstein model