Modeling of Electronic Mobilities in Halide Perovskites: Adiabatic Quantum Localization Scenario

Area of Science:

• Materials Science
• Condensed Matter Physics
• Solid-State Chemistry

Background:

• Methylammonium lead iodide (MAPbI3) is a key material in perovskite solar cells.
• Understanding its charge transport properties is crucial for device efficiency.

Purpose of the Study:

• To analyze the transport properties of MAPbI3 using a tight-binding model.
• To investigate the influence of electron-phonon interactions and disorder on charge carrier mobility.

Main Methods:

• Tight-binding model calculations.
• Analysis of Fröhlich interaction between charge carriers and optical phonons.
• Inclusion of extrinsic disorder effects.

Main Results:

• Strong Fröhlich interaction between electrons/holes and optical phonon modes identified.
• Significant scattering limits room-temperature electronic mobility to ~200 cm²/Vs.
• Disorder leads to carrier localization, but adiabatic diffusion enabled by lattice dynamics.

Conclusions:

• Electron-phonon coupling is a primary factor limiting MAPbI3 mobility.
• Adiabatic diffusion mechanism contributes to the material's distinctive electronic behavior.
• Further research into mitigating scattering and understanding diffusion is warranted for optoelectronic applications.