The structure of kagome superconductors CsV${}_3$Sb${}_5$ in the charge density wave states

Abstract

The structure of charge density wave states in AV${}_3$Sb${}_5$ (A = K, Rb, Cs) kagome superconductors remains elusive, with three possible $2a\times 2a\times 2c$ candidates: tri-hexagonal, star-of-David, and their mixture. In this study, we conducted a systematic first-principles investigation of the nuclear quadrupole resonance (NQR) and nuclear magnetic resonance (NMR) spectra for the $2a\times 2a\times 2c$ CsV${}_3$Sb${}_5$ structures. By comparing our simulations with experimental data, we have concluded that the NQR spectrum indicates the tri-hexagonal structure as the proper structure for CsV${}_3$Sb${}_5$ after its charge density wave phase transition. The NMR calculation results obtained from the tri-hexagonal structure are also consistent with the experimental data.

8 pages, 3 figures and appendix

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• Coherent Phonon Pairs and Rotational Symmetry Breaking of Charge Density Wave Order in the Kagome Superconductor CsV${}_3$Sb${}_5$
• Evidence for reduced periodic lattice distortion within the Sb-terminated surface layer of the kagome metal CsV${}_3$Sb${}_5$
• The de Haas-van Alphen quantum oscillations in the kagome metal RbTi3Bi5
• Impact of Charge Density Waves on Superconductivity and Topological Properties in AV${}_3$Sb${}_5$ Kagome Superconductors
• Unveiling the nature of electronic transitions in RbV${}_3$Sb${}_5$ with Avoided Level Crossing $\mu$SR
• Inter-Layer Correlation of Loop Current Charge Density Wave on the Bilayer Kagomé Lattice
• Magnetic response and antiferromagnetic correlations in strained kagome ribbons
• Microscopic origin of period-four stripe charge-density-wave in kagome metal CsV${}_3$Sb${}_5$
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