NMR lineshape of $^{29}$Si in single-crystal silicon

TL;DR

This study measures the NMR lineshape of $^{29}$Si in single-crystal silicon, comparing experimental results with simulations to understand spin interactions and coupling asymmetries.

Contribution

It provides detailed NMR lineshape measurements for $^{29}$Si in silicon and identifies specific spin pair interactions, including the asymmetry of J-coupling.

Findings

Good agreement between experimental lineshapes and simulations

Measured J-coupling asymmetry $ riangle J=90\u00b120$ Hz

Identified specific spin pairs responsible for observed features

Abstract

We report measurements of the NMR lineshape of 4.685\% abundant $^{29}$Si in single-crystal silicon for four different crystallographic orientations relative to the applied magnetic field. To avoid significant inhomogeneous broadening, the sample crystals are immersed in a susceptibility matched liquid and the proton NMR lineshape in the liquid is used to measure the residual susceptibility mismatch and to shim the applied field. The observed lineshapes are in good agreement with disorder-averaged spin dynamics simulations performed on a $4 \times 4 \times 4$ unit cell lattice with periodic boundary conditions. The splitting of resolved doublet features is used to measure the asymmetry $\Delta J$ of the nearest-neighbor indirect dipole or J-coupling tensor, with the result $\Delta J=90\pm20$ Hz. All resolved doublets can be identified with specific nearest and next-nearest neighbor isolated spin pairs that occur in the disorder ensemble.