Dresden 2020 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 10: Focus Session: When theory meets experiment: Hybrid halide perovskites for applications beyond solar I (joint session HL/CPP)

Montag, 16. März 2020, 09:30–12:00, POT 251

Hybrid halide perovskites are by now well established solar absorber and emitter materials, with power conversion efficiencies of single cell devices exceeding 20%. We have observed - with notable exceptions - a widening gap between experimental and theoretical efforts in the literature on halide perovskites. Further, a large fraction of the literature focuses on properties relevant for optoelectronic applications, while we envision a much wider scope for these materials, e.g in spintronic and electro-chemical applications. The purpose of this focus session is to provide a platform for theorists and experimentalists working in this field, to interact, present state-of-the-art methods, and exchange their ideas on future directions for this technologically relevant class of materials beyond the current focus on optoelectronics.

Organizers: Linn Leppert (Universiät Bayreuth) and Felix Deschler (TU Munich)

09:30 CPP 10.1 Hauptvortrag: Anharmonic semiconductors - Lessons Learned from Halide perovskites — •Omer Yaffe
10:00 CPP 10.2 Hauptvortrag: Lattice Screening of Excitons in Lead Halide Perovskites from First Principles — •Marina R. Filip, Jonah B. Haber, and Jeffrey B. Neaton
  10:30 15 min. break.
10:45 CPP 10.3 Hauptvortrag: Structural dynamics and disorder in halide perovskites — •David Egger
11:15 CPP 10.4 Optoelectronic properties of lead-free double-perovskites from first principles — •Raisa I. Biega, Marina R. Filip, Linn Leppert, and Jeffrey B. Neaton
11:30 CPP 10.5 First principles calculations for blue-emitting organic-inorganic halide perovskites — •Ivor Loncaric, Luca Grisanti, Jasminka Popovic, and Aleksandra Djurisic
11:45 CPP 10.6 Computing temperature-dependent band gap distributions of halide perovskites with a first-principles tight-binding approach — •Maximilian J. Schilcher, Matthew Z. Mayers, Liang Z. Tan, David R. Reichman, and David A. Egger
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