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Nature of Symmetry Breaking at the Excitonic Insulator Transition: Ta_{2}NiSe_{5}
Giacomo Mazza1,2,3, Malte Rösner4, Lukas Windgätter5
1Department of Quantum Matter Physics, University of Geneva, Quai Ernest-Ansermet 24, 1211 Geneva, Switzerland.
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.
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