Efficient NMR measurement and data analysis supported by the Bayesian inference: The case of the heavy fermion compound YbCo2Zn20

H. Ueda, S. Katakami,M. Okada, S. Yoshida, Y. Nakai, T. Mito, M. Mizumaki

JOURNAL OF MAGNETIC RESONANCE(2023)

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摘要
We propose a data-driven technique to infer microscopic physical quantities from nuclear magnetic resonance (NMR) spectra, in which the data size and quality required for the Bayesian inference are investigated. The 59Co-NMR measurement of YbCo2Zn20 single crystal generates complex spectra with 28 peaks. By exploiting the site symmetry in the crystal structure, the isotropic Knight shift Kiso and nuclear quadrupole resonance (NQR) frequency vQ were respectively estimated to be Kiso = 0.7822 +/- 0.0090% and vQ = 2.008 +/- 0.016 MHz (T = 20 K and H similar or equal to 10.2 T) by analyzing only 30 data points from one spectrum. The estimated vQ is consistent with the precise value obtained in the NQR experiment. Our method can significantly reduce the measurement time and the computational cost of data analysis in NMR experiments.
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关键词
Solid-NMR,Data-driven science,Bayesian inference
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