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We show that crystal-field calculations for C1 point-group symmetry are possible, and that such calculations can be performed with sufficient accuracy to have substantial utility for rare-earth based quantum information applications. In particular, we perform crystal-field fitting for a C1-symmetry site in 167 Er 3+ :Y2SiO5. The calculation simultaneously includes site-selective spectroscopic data up to 20,000 cm −1 , rotational Zeeman data, and ground-and excited-state hyperfine structure determined from high-resolution Raman-heterodyne spectroscopy on the 1.5 µm telecom transition. We achieve an agreement of better than 50 MHz for assigned hyperfine transitions. The success of this analysis opens the possibility of systematically evaluating the coherence properties, as well as transition energies and intensities, of any rare-earth ion doped into Y2SiO5.

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The hyperfine structure of the ground state of erbium doped yttrium orthosilicate is analyzed with the use of electron paramagnetic resonance experiments in a tunable microwave resonator. This work was prompted by the disagreement between a recent measurement made in zero magnetic field and a previously published spin Hamiltonian which. The ability to vary magnetic field strength, resonator frequency, and the orientation of our sample enabled us to monitor how the frequencies of hyperfine transitions change as a function of a vector magnetic field. We arrived at a different set of spin Hamiltonian parameters, which are also broadly consistent with the existing data. We discuss the reliability of our new spin Hamiltonian parameters to make predictions outside the magnetic field and frequency regimes of our data. We also discuss why it proved to be difficult to determine spin Hamiltonian parameters for this material, and present data collection strategies that improve the model reliability.