Energy resonance transfer between quantum defects in metal halide perovskites

TL;DR

This paper provides a theoretical analysis of non-radiative multiphonon processes among quantum defects in metal halide perovskites, explaining charge transfer mechanisms and their temperature dependence, which are crucial for understanding recombination losses.

Contribution

It introduces a theoretical model for defect-assisted multiphonon processes in MHPs, clarifying charge transfer dynamics and defect depth effects, filling gaps in current understanding.

Findings

Charge transfer between shallow defects is facilitated by multiphonon processes.

Transitions between donor- and acceptor-like defects are fast and defect depth-independent.

Temperature effects on multiphonon processes depend on the Huang-Rhys factor and phonon emission.

Abstract

Quantum defects have shown to play an essential role for the non-radiative recombination in metal halide perovskites (MHPs). Nonetheless, the processes of charge transfer-assisted by defects are still ambiguous. Herein, we theoretically study the non-radiative multiphonon processes among different types of quantum defects in MHPs using Markvart model for the induced mechanisms of electron-electron and electron-phonon interactions, respectively. We find that charge carrier can transfer between the neighboring levels of the same type shallow defects by multiphonon processes, but it will be distinctly suppressed with the increasing of the defect depth. For the non-radiation multiphonon transitions between donor- and acceptor-like defects, the processes are very fast and independence of the defect depth, which provide a possible explanation for the blinking phenomena of photoluminescence spectra in recent experiment. We also discuss the temperature dependence of these multiphonon processes and find that their variational trends depend on the comparison of Huang-Rhys factor with the emitted phonon number. These theoretical results fill some gaps of defect-assisted non-radiative processes in the perovskites materials.