Berlin 2024 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 13: Poster I

HL 13.40: Poster

Monday, March 18, 2024, 15:00–18:00, Poster E

Excitonic and optical properties of a novel halide-based double perovskite from ab-initio many body techniques — •Manaswita Kar, Maria Hellgren, Michele Casula, and Benjamin Lenz — Sorbonne Univesité, Paris, France

Halide perovskites have proved to be promising candidates for next-generation photonics applications, including both classical and quantum emission. The exceptional excitonic and optical properties of this class of materials are in particular in focus in their quantum-confined regime. In this study, we investigate the optical and excitonic properties of a novel halide-based double perovskite, which was first predicted by machine learning and subsequently validated by synthesis and characterization of quantum dots. Here, we characterize the optical properties of the bulk phase through theoretical simulations. We employ many-body perturbation theory (GW) and Bethe-Salpeter equation techniques to study its excitonic properties, which are not captured within standard density functional theory.

Keywords: Halide perovskite; Excitons; Many-body perturbation theory; Optical properties; Ab initio simulation