/PolaronMobility.jl

Polaron Mobility - by a Osaka finite-temperature variational solution to the Feynman model, then mobility by Kadanoff and Hellwarth

Primary LanguageJupyter NotebookMIT LicenseMIT

PolaronMobility-FeynmanKadanoffOsakaHellwarth

Build Status Coverage Status codecov.io

These codes calculate the temperature-dependent polaron mobility for a material. We have parameters for various metal-halide Perovskite.

More extensive documentation is available here, which is perhaps easiest to read and understand alongside the pre-print: ArXiv:1704.05404 .

The scientific inputs are the dielectric constants, a characteristic phonon frequency, and the bare-electron band effective-mass.

From this you can solve a temperature-dependent polaron model (variationally optimising temperature-dependent free-energies for the coupled electron-phonon system), and from this optimised parameters calculate derivative quantities such as the polaron mobility, and polaron features (effective masses, energy loss rates, oscillation etc.)

May your phonons drag in a manner truly sublime.

MAPI Polaron mobility, plotted vs expt data

Research outputs

Polaron mobilities, three different ways Polaron mobilities, three different ways

Effective mass of phonon cloud Effective mass of phonon cloud

Spring constant for coupling to phonon cloud Spring constant for coupling to phonon cloud

Variational (temperature-dependent free-energy) parameters for the coupled system Variational (temperature-dependent free-energy) parameters for the coupled system