Renormalization of excitonic properties by polar phonons
arXiv:2205.11780 · doi:10.1063/5.0100738
Abstract
We employ quasiparticle path integral molecular dynamics to study how the excitonic properties of model semiconductors are altered by electron-phonon coupling. We describe ways within a path integral representation of the system to evaluate the renormalized mass, binding energy, and radiative recombination rate of excitons in the presence of a fluctuating lattice. To illustrate this approach, we consider Fröhlich-type electron-phonon interactions and employ an imaginary time influence functional to incorporate phonon-induced effects nonperturbatively. The effective mass and binding energies are compared with perturbative and variational approaches, which provide qualitatively consistent trends. We evaluate electron-hole recombination rates as mediated through both trap-assisted and bimolecular processes, developing a consistent statistical mechanical approach valid in the reaction limited regime. These calculations demonstrate how phonons screen electron-hole interactions, generically reducing exciton binding energies and increasing their radiative lifetimes.
arXiv comment12 pages, 8 figures
References in corpus (17)
- Statistically optimal analysis of samples from multiple equilibrium states
- Origin of reversible photo-induced phase separation in hybrid perovskites
- Optical Phonons in Methylammonium Lead Halide Perovskites and Implications for Charge Transport
- GW quasiparticle band gap of the hybrid organic-inorganic perovskite CHNHPbI: Effect of spin-orbit interaction, semicore electrons, and self-consistency
- Ab initio theory of polarons: formalism and applications
- How Lattice and Charge Fluctuations Control Carrier Dynamics in Halide Perovskites
- Polarons from first principles, without supercells
- Continuous-Time Quantum Monte Carlo Algorithm for the Lattice Polaron
- Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CHNHPbI from Multiphonon Fröhlich Coupling
- Phonon Screening of Excitons in Semiconductors: Halide Perovskites and Beyond
- Tuning the Fröhlich exciton-phonon scattering in monolayer MoS2
- Electron-hole correlations govern Auger recombination in nanostructures
- Biexciton recombination rates in self-assembled quantum dots
- Photoinduced phase separation in the lead halides is a polaronic effect
- Electron-phonon couplings inherent in polarons drive exciton dynamics in two-dimensional metal-halide perovskites
- Fröhlich Polarons. Lecture course including detailed theoretical derivations
- Effective Mass Path Integral Simulations of Quasiparticles in Condensed Phases