Litcius/Paper detail

Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites

Marina R. Filip, Diana Y. Qiu, Mauro Del Ben, Jeffrey B. Neaton

2022Nano Letters53 citationsDOIOpen Access PDF

Abstract

approximation, and the Bethe-Salpeter equation approach to understand the contribution of the organic cation to the quasiparticle band gap and exciton binding energy of layered perovskites. We show that organic cations in quasi-two-dimensional perovskites contribute significantly to the dielectric screening in these systems, countering quantum confinement effects on the quasiparticle band gap and the exciton binding energy. Using a simple electrostatics model inspired by parallel-plate capacitors, we decouple the organic cation and inorganic layer contributions to the effective dielectric constants and show that dielectric properties of layered perovskites are broadly tunable via the interlayer cation, providing a direct means of tuning photophysical properties for a variety of applications.

Topics & Concepts

ExcitonQuasiparticleDielectricGW approximationBand gapHalideChemical physicsBinding energyDensity functional theoryMaterials scienceChemistryCondensed matter physicsOptoelectronicsComputational chemistryPhysicsInorganic chemistryAtomic physicsSuperconductivityPerovskite Materials and Applications2D Materials and ApplicationsSolid-state spectroscopy and crystallography