English

Topological polarons in halide perovskites

Materials Science 2024-05-24 v1

Abstract

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.

Keywords

Cite

@article{arxiv.2405.13188,
  title  = {Topological polarons in halide perovskites},
  author = {Jon Lafuente-Bartolome and Chao Lian and Feliciano Giustino},
  journal= {arXiv preprint arXiv:2405.13188},
  year   = {2024}
}