Symmetry-Broken Ground State and Phonon-Mediated Superconductivity in Kagome CsV3Sb5
Manex Alkorta, Martin Gutierrez-Amigo, Đorđe Dangić, Chunyu Mark Guo, Philip J. W. Moll, Maia G. Vergniory, Ion Errea
DOI 10.1103/4r8x-j3nd · Physical Review Letters
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Abstract
The newly discovered family of nonmagnetic kagome metals AV3Sb5 (A=K, Rb, or Cs) provides a unique platform for exploring the interplay between charge-density wave (CDW) order, superconductivity, nontrivial topology, and spontaneous time-reversal symmetry breaking. Although characterizing the CDW phase is essential for understanding and modeling these exotic phenomena, its nature remains unresolved. In this Letter, we employ first-principles free-energy calculations, accounting for both ionic kinetic energy and anharmonic effects, to resolve the atomistic phase diagram of CsV3Sb5 and its charge ordering structure. Our results uncover that the CDW ground state is formed by reconstructed vanadium kagome layers in a triangular-hexagonal pattern, featuring energetically degenerate different stacking orders. This accounts for the various out-of-plane modulations observed experimentally and supports the coexistence of multiple domains. The discovered symmetry-broken ground state is consistent with the absence of any electronic anisotropy in transport experiments. By combining anharmonic phonons with the calculation of electron-phonon matrix elements, we predict a superconducting critical temperature for the CDW phase in agreement with experiments showing that superconductivity is phonon mediated. These findings not only resolve a long-standing structural puzzle, but also clarify the impact of the CDW in superconductivity, highlighting its fundamental importance in shaping the low-temperature quantum phase diagram of kagome metals.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| CsV3Sb5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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