Kavli Affiliate: David T. Limmer
| First 5 Authors: Yoonjae Park, Rohit Rana, Daniel Chabeda, Eran Rabani, David T. Limmer
| Summary:
Unravelling the role of charge-lattice interactions on the optoelectronic
properties in lead halide perovskites is of great interest due to their unique
photophysical properties. While there is broad consensus on the importance of
the structural deformations and polar fluctuations on the behavior of charge
carriers and quasiparticles, the strongly anharmonic nature of these
fluctuations and their strong interactions render theoretical descriptions of
lead halides challenging. In this Account, we review our recent efforts to
understand how the soft, polar lattice of this class of materials alter their
quasiparticle binding energies and fine structure, charge mobilities, and
lifetimes of phonons and excess charges. This is reviewed in the context of the
effective models we have built, and the novel theoretical methods we have
developed to understand bulk crystalline materials, as well as nanostructures,
and lower dimensionality lattices. The perspective we detail provides both some
design principles for optoelectronic materials and a set of theoretical tools
to study them when charge-lattice interactions are important.
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