Topological polarons in halide perovskites

Fuente: arXiv
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Hauptverfasser: Lafuente-Bartolome, Jon, Lian, Chao, Giustino, Feliciano
Format: Preprint
Veröffentlicht: 2024
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author Lafuente-Bartolome, Jon
Lian, Chao
Giustino, Feliciano
author_facet Lafuente-Bartolome, Jon
Lian, Chao
Giustino, Feliciano
contents Halide perovskites emerged as a revolutionary family of high-quality semiconductors for solar energy harvesting and energy-efficient lighting. There is mounting evidence that the exceptional optoelectronic properties of these materials could stem from unconventional electron-phonon couplings, and it has been suggested that the formation of polarons and self-trapped excitons could be key to understanding such properties. By performing first-principles simulations with unprecedented detail across the length scales, here we show that halide perovskites harbor a uniquely rich variety of polaronic species, including small polarons, large polarons, and charge density waves, and we explain a variety of experimental observations. We find that these emergent quasiparticles support topologically nontrivial phonon fields with quantized topological charge, making them the first non-magnetic analog of the helical Bloch points found in magnetic skyrmion lattices.
format Preprint
id arxiv_https___arxiv_org_abs_2405_13188
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Topological polarons in halide perovskites
Lafuente-Bartolome, Jon
Lian, Chao
Giustino, Feliciano
Materials Science
Halide perovskites emerged as a revolutionary family of high-quality semiconductors for solar energy harvesting and energy-efficient lighting. There is mounting evidence that the exceptional optoelectronic properties of these materials could stem from unconventional electron-phonon couplings, and it has been suggested that the formation of polarons and self-trapped excitons could be key to understanding such properties. By performing first-principles simulations with unprecedented detail across the length scales, here we show that halide perovskites harbor a uniquely rich variety of polaronic species, including small polarons, large polarons, and charge density waves, and we explain a variety of experimental observations. We find that these emergent quasiparticles support topologically nontrivial phonon fields with quantized topological charge, making them the first non-magnetic analog of the helical Bloch points found in magnetic skyrmion lattices.
title Topological polarons in halide perovskites
topic Materials Science
url https://arxiv.org/abs/2405.13188