Topological polarons in halide perovskites
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arXiv
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| Hauptverfasser: | , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866909208172036096 |
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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 |