| Literature DB >> 32469559 |
Giacomo Mazza1,2,3, Malte Rösner4, Lukas Windgätter5, Simone Latini5, Hannes Hübener5, Andrew J Millis6,7, Angel Rubio5,6,8, Antoine Georges1,2,3,6.
Abstract
Ta_{2}NiSe_{5} 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 Ta_{2}NiSe_{5}, 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 Ta_{2}NiSe_{5} and settle the fundamental questions about symmetry breaking governing the spontaneous formation of excitonic insulating phases in solid-state materials.Year: 2020 PMID: 32469559 DOI: 10.1103/PhysRevLett.124.197601
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161