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Published on: August 2, 2019
Soft mode origin of charge ordering in superconducting kagome CsV3Sb5
Philippa Helen McGuinness1, Fabian Henssler1, Manex Alkorta2,3
1Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany.
None:
Charge-density-wave (CDW) order and superconductivity coexist in the kagome metals AV3Sb5 (A=K, Cs, Rb), raising fundamental questions about the mechanisms driving their intertwined phases. Here we combine high-resolution inelastic X-ray scattering with first-principles calculations to uncover the origin of CDW formation in CsV3Sb5. Guided by structure factor analysis, we identify a soft phonon mode along the reciprocal M-L direction, with the strongest effect at the L point, where the elastic scattering intensity also grows most rapidly upon cooling. First-principles calculations incorporating lattice anharmonicity and electron-phonon coupling reproduce these observations and establish a soft-mode instability at the L point as the driving mechanism of CDW formation. Despite the weakly first-order character of the transition, our results unambiguously demonstrate that the CDW in CsV3Sb5 originates from a softened phonon, clarifying its microscopic origin and highlighting the central role of lattice dynamics in kagome metals.
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