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

Abstract

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 ${}^{59}$Co-NMR measurement of YbCo${}_2$Zn${}_{20}$ single crystal generates complex spectra with 28 peaks. By exploiting the site symmetry in the crystal structure, the isotropic Knight shift $K_{iso}$ and nuclear quadrupole resonance(NQR) frequency $\hat{I}{½}_Q$ were estimated to be $K_{iso}=0.7822\pm 0.0090\%$, $\hat{I}{½}_Q=2.008\pm 0.016$ MHz ( T = 20 K, H $\simeq$ 10.2 T) by analyzing only 30 data points from one spectrum. The estimation of $\hat{I}{½}_Q$ 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.

9 pages