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arXiv 2210.07585cond-mat.supr-concond-mat.str-el
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Kagome超导体CsV$_3$Sb$_5$在电荷密度波态下的结构

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

Yuxin Wang, Tao Wu, Zheng Li, Kun Jiang, Jiangping Hu

AI总结:

本研究通过第一性原理模拟NQR和NMR谱,并与实验对比,确定CsV$_3$Sb$_5$在电荷密度波相变后具有三六角形结构。

摘要:

AV$_3$Sb$_5$(A = K, Rb, Cs)kagome超导体中电荷密度波态的结构仍然难以确定,存在三种可能的$2a\ imes2a\ imes2c$候选结构:三六角形、大卫之星及其混合结构。本研究中,我们对$2a\ imes2a\ imes2c$ CsV$_3$Sb$_5$结构的核四极共振(NQR)和核磁共振(NMR)谱进行了系统的第一性原理研究。通过将模拟结果与实验数据比较,我们得出结论:NQR谱表明三六角形结构是CsV$_3$Sb$_5$在经历电荷密度波相变后的合适结构。从三六角形结构获得的NMR计算结果也与实验数据一致。

英文摘要:

The structure of charge density wave states in AV$_3$Sb$_5$ (A = K, Rb, Cs) kagome superconductors remains elusive, with three possible $2a\times2a\times2c$ 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 $2a\times2a\times2c$ 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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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