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Chiral Charge Density Waves in Transition Metal Dichalcogenide
1Institute for Photonics and Nanotechnologies, CNR-IFN, piazza Leonardo da Vinci 32, 20133 Milano, Italy.
Abstract:
The emergence of chirality in the charge density wave (CDW) phase of 1T-TiSe_{2} has recently attracted significant attention, yet its microscopic origin remains debated. The prevailing interpretation attributes chirality to a relative phase shift between the charge density components. Here, using density functional theory and symmetry analysis, it is demonstrated that such phase-shifted states entail prohibitive energy costs, rendering them unlikely candidates for the ground state. Instead, a nearly degenerate metastable CDW phase stacking order with monoclinic symmetry is identified that naturally breaks mirror and inversion symmetries. The CDW in 1T-TiSe_{2} possesses a dual physical nature: The electronic charge redistribution is intrinsically bond modulated, while the periodic lattice distortion is atom-centered transverse. This spatial separation allows a specific optical coupling mechanism where circularly polarized light breaks the energetic degeneracy between chiral domains. These results reconcile conflicting experimental observations, identifying the "spontaneous" chirality observed in local probes as a statistical distribution of CDW phase stacking domains while establishing the mechanism for macroscopic, light-induced gyrotropic order.
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