- Accepted Paper
Defect assignment of the clock site in Th:CaF
Phys. Rev. Lett. - Accepted 13 November, 2026
DOI: https://doi.org/10.1103/1z49-m1tn
Phys. Rev. Lett. - Accepted 13 November, 2026
DOI: https://doi.org/10.1103/1z49-m1tn
The performance of solid-state nuclear clocks depends sensitively on the microscopic environment of the thorium nucleus in the host crystal. Here we reassess the dominant quadrupole-split thorium site in _2$, which has been assigned to a thorium dimer in recent spectroscopic work. Thermodynamic estimates, density functional theory calculations, and electric-field-gradient comparisons instead favor an isolated $\text{Th}^{4+}}$ substitution on a $^{2+}} site charge-compensated by two nearby fluoride interstitials in a configuration, consistent with earlier literature. The same calculation identifies another defect, also with fluoride interstitials but in a different spatial arrangement, that matches weaker observed spectral lines. The defect responsible for the clock transition therefore features a single $^{229}} nucleus with nearby fluoride ions, rather than thorium aggregation. This defect assignment has implications for achievable linewidths and provides a microscopic basis for reducing broadening in solid-state nuclear clocks.
If the author has provided any supplemental materials with this article they will be available upon publication of the version of record.