Structure of the kagome superconductor CsV3Sb5 in the charge density wave state
Yuxin Wang, Tao Wu, Zheng Li, Kun Jiang, Jiangping Hu
DOI 10.1103/PhysRevB.107.184106 · Physical Review B
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Abstract
The structure of charge density wave states in AV3Sb5 (A = K, Rb, Cs) kagome superconductors remains elusive, with three possible 2a×2a×2c candidates: trihexagonal, 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×2a×2cCsV3Sb5 structures. By comparing our simulations with experimental data, we have concluded that the NQR spectrum indicates the trihexagonal structure as the proper structure for CsV3Sb5 after its charge density wave phase transition. The NMR calculation results obtained from the trihexagonal structure are also consistent with the experimental data.
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. | 2.5 | Pressure not reported | unknown |
| KV3Sb5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1 | Pressure not reported | unknown |
| RbV3Sb5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1 | Pressure not reported | unknown |
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