Strong out-of-plane excitons in 2D hybrid halide double perovskites

By means of an ab initio investigation, exploiting many-body perturbation theory approaches on top of ground-state density functional theory calculations, we disclose the impact of the electronic correlation on the band structure and optical properties of a class of recently synthesized Pb-free 2D-layered halide perovskites, namely, (BA)(4)AgBiBr8 and (BA)(2)CsAgBiBr7. We observe strong out-of-plane excitonic dipoles characterizing the optical spectra, a result that suggests the potential applicability of these layered hybrid materials in photonics and plasmonics, where the perpendicular field direction plays a relevant role.

Automated summary

Through theoretical calculations, this study reveals the impact of electronic correlation on a class of recently synthesized lead-free 2D-layered halide perovskites, and observes the presence of strong out-of-plane excitonic dipoles in the optical spectra, indicating potential applications in photonics and plasmonics.