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Título: | Nature of symmetry breaking at the excitonic insulator transition: Ta2NiSe 5 |
Autor: | Mazza, Giacomo; Rösner, Malte; Windgätter, Lukas; Latini, Simone; Hübener, Hannes CSIC; Millis, Andrew J.; Rubio, Angel CSIC ORCID; Georges, Antoine | Fecha de publicación: | 2020 | Editor: | American Physical Society | Citación: | Physical Review Letters 124(19): 197601 (2020) | Resumen: | Ta2NiSe5 is one of the most promising materials for hosting an excitonic insulator ground state. While a number of experimental observations have been interpreted in this way, the precise nature of the symmetry breaking occurring in Ta2NiSe5, the electronic order parameter, and a realistic microscopic description of the transition mechanism are, however, missing. By a symmetry analysis based on first-principles calculations, we uncover the discrete lattice symmetries which are broken at the transition. We identify a purely electronic order parameter of excitonic nature that breaks these discrete crystal symmetries and contributes to the experimentally observed lattice distortion from an orthorombic to a monoclinic phase. Our results provide a theoretical framework to understand and analyze the excitonic transition in Ta2NiSe5 and settle the fundamental questions about symmetry breaking governing the spontaneous formation of excitonic insulating phases in solid-state materials. | Versión del editor: | https://doi.org/10.1103/PhysRevLett.124.197601 | URI: | http://hdl.handle.net/10261/235419 | DOI: | 10.1103/PhysRevLett.124.197601 | E-ISSN: | 1079-7114 |
Aparece en las colecciones: | (CFM) Artículos |
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naturSe5.pdf | 1,71 MB | Adobe PDF | Visualizar/Abrir |
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