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    Lithium ion dynamics in synthetic quartz studied via the NMR of implanted 8Li+

    W. Andrew MacFarlane1,2,3,*, Ryan M. L. McFadden1,2,†, Signy L. Spencer1,2, Aris Chatzichristos2,4,‡, John O. Ticknor1,2, David L. Cortie2,§, Martin H. Dehn2,4,∥, Sarah R. Dunsiger3, Derek Fujimoto2,4,† et al.

    Z. H. Jang5, Victoria L. Karner1,2,†, Robert F. Kiefl2,3,4, Gerald D. Morris3, and Monika Stachura3,6

    • *Contact author: wam@chem.ubc.ca
    • †Present address: TRIUMF, Vancouver, British Columbia V6T 2A3, Canada.
    • ‡Present address: InCELLia, 15125 Athens, Greece.
    • §Present address: Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia.
    • ∥Present address: D-Wave Systems, Burnaby, British Columbia V5G 4M9, Canada.

    Phys. Rev. B 112, 014103 – Published 8 July, 2025

    DOI: https://doi.org/10.1103/8d6t-2tg9

    Abstract

    We report β-detected nuclear magnetic resonance (βNMR) measurements of implanted Li+8 in a synthetic single crystal of α−SiO2 (quartz). At 6.55 Tesla, the spectrum is comprised of a large amplitude broad resonance and a quadrupolar multiplet that is only revealed by an rf comb excitation. The quadrupole splitting is surprisingly small, increases with temperature, and provides information on the implantation site. Supercell density functional theory calculations show the splitting is consistent with an in-channel interstitial site (Wyckoff 3a). The spin-lattice relaxation is unexpectedly fast and strongly temperature dependent with a diffusive peak above 200 K and a second more prominent relaxation peak at lower temperature. Analysis of the diffusive relaxation yields an activation barrier 178(43) meV for the isolated Li+ in the range of other measurements and calculations. To account for many of the other features of the data, it is suggested that some of the implanted ions trap an electron forming the neutral Li0, which is stable over a narrow range of temperatures.

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