Determination of the Electronic Structure of Lead and Tin based Perovskites
Selina Olthof a
a University of Cologne, Institute for Physical Chemistry, Luxemburgerstrasse 116, Köln, 50939, Germany
Materials for Sustainable Development Conference (MATSUS)
Proceedings of nanoGe Fall Meeting19 (NFM19)
#PERInt19. Interplay of composition, structure and electronic properties in halide-perovskites
Berlin, Germany, 2019 November 3rd - 8th
Organizer: Pablo P. Boix
Invited Speaker, Selina Olthof, presentation 267
DOI: https://doi.org/10.29363/nanoge.nfm.2019.267
Publication date: 18th July 2019

In recent years, the interest in halide perovskites rose at a rapid pace due to their tremendous success in the field of photovoltaic while other fields, like light emitting diodes, show great potential as well. One intriguing property of this material class is the wide tunability of the band-gap that can be induced by changing the perovskite composition. While changes in band gap are regularly reported, it is unclear how the respective conduction and valence band positions change and what the underlying origins of these changes are. Knowing the band positions is however crucial for device design, i.e. ensuring efficient charge transport across the various interfaces.

In this talk, I will discuss recent findings regarding the variations in ionization energy and electron affinity, covering the complete library of lead and tin based halide perovskite systems. [1] Using a combination of photoelectron spectroscopy, density functional theory, and a tight binding model we are able to reliably extract the relevant energy level positions. Furthermore, we are able to explain the origin of these changes based on changes in hybridization strength, atomic level positions, and lattice distortion.

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