Topological polarons in halide perovskites

• 成果类型: Article
• 署名作者: Lafuente-Bartolome, Jon; Lian, Chao; Giustino, Feliciano
• 署名单位: University of Texas System; University of Texas Austin; University of Texas System; University of Texas Austin
• 刊物名称: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
• ISSN/ISSBN: 0027-12361
• DOI: 10.1073/pnas.2318151121
• 发表日期: 2024-05-21
• 关键词: solar-cells; DYNAMICS; distortions; carriers; lengths

摘要

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 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 nonmagnetic analog of the helical Bloch points found in magnetic skyrmion lattices.