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Physical review. B./Physical review. B

Crystal field and hyperfine structure of Er3+167 in YPO4 :Er single crystals: High-resolution optical and EPR spectroscopy

Marina N. Popova, С. А. Климин, Sergey A. Moiseev, K. I. Gerasimov, Mansur M. Minnegaliev, E. I. Baibekov, G. S. Shakurov, Marco Bettinelli, MARGARET C. Y. CHOU

Published Jun 26, 2019• 23 citations
Publisher

Abstract

We report on a high-resolution optical and magneto-optical spectroscopy, luminescence, and electron paramagnetic resonance (EPR) studies of yttrium orthophosphate single crystals doped with erbium, which are promising telecom-wavelength materials for applications in quantum electronics and quantum information processing. An observation of the hyperfine structure in optical spectra of $^{167}\mathrm{Er}$ isotope in ${\mathrm{Er}:\mathrm{YPO}}_{4}$ is presented. Energies and symmetries of 40 crystal-field levels of ${\mathrm{Er}}^{3+}$ in ${\mathrm{Er}:\mathrm{YPO}}_{4}$ and $g$ factors of some of them were determined and successfully modeled on the basis of crystal-field calculations. The obtained set of crystal-field parameters was used in modeling the hyperfine structure observed in the optical and EPR spectra of ${\mathrm{Er}:\mathrm{YPO}}_{4}$ single crystals.

DOI
10.1103/physrevb.99.235151

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Extending Phenomenological Crystal-Field Methods to C1 Point-Group Symmetry: Characterization of the Optically Excited Hyperfine Structure of Er1673+:Y2SiO5

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arXiv:1809.01058•Physical Review Letters•Jul 31, 2019•35 citations
We report on a high-resolution optical and magneto-optical spectroscopy, luminescence, and electron paramagnetic resonance (EPR) studies of yttrium orthophosphate single crystals doped with erbium, which are promising telecom-wavelength materials for applications in quantum electronics and quantum information processing. An observation of the hyperfine structure in optical spectra of 167Er^{167}\mathrm{Er}167Er isotope in Er:YPO4{\mathrm{Er}:\mathrm{YPO}}_{4}Er:YPO4​ is presented. Energies and symmetries of 40 crystal-field levels of Er3+{\mathrm{Er}}^{3+}Er3+ in Er:YPO4{\mathrm{Er}:\mathrm{YPO}}_{4}Er:YPO4​ and ggg factors of some of them were determined and successfully modeled on the basis of crystal-field calculations. The obtained set of crystal-field parameters was used in modeling the hyperfine structure observed in the optical and EPR spectra of Er:YPO4{\mathrm{Er}:\mathrm{YPO}}_{4}Er:YPO4​ single crystals.
We performed high-resolution magneto-optical spectroscopy of the hyperfine transitions from 4I15/2^{4}I_{15/2}4I15/2​ to the 4I13/2^{4}I_{13/2}4I13/2​ and 4I9/2^{4}I_{9/2}4I9/2​ multiplets of 167Er3+^{167}\mathrm{Er}^{3+}167Er3+ and 166Er3+^{166}\mathrm{Er}^{3+}166Er3+ in an isotopically purified 7LiYF4^{7}\mathrm{LiYF}_{4}7LiYF4​ crystal in various external magnetic fields up to 0.7 T. The obtained experimental results are interpreted in the framework of the generalized theoretical approach. The derived model successfully explains all the experimentally observed optical hyperfine transitions by using a single set of basic parameters found for the crystal-field interaction, magnetic dipole and electric quadrupole hyperfine interactions, together with Zeeman interactions at different orientations of the external magnetic field. A number of the studied quantum transitions appears to be promising for use in Raman quantum storage at optical telecommunication wavelengths.
Electron paramagnetic resonance (EPR) spectroscopy of rare earth ions in crystals is a powerful tool to analyze the hyperfine structure of the rare earth ground state. This can be useful for coherent spectroscopy and quantum information applications where the hyperfine structure of the electronic levels is used. In this work, we give a detailed analysis of the hyperfine structure of the ground state [4I15∕2(0)][^{4}I_{15∕2}(0)][4I15∕2​(0)] of Er3+{\mathrm{Er}}^{3+}Er3+ ions in Y2SiO5{\mathrm{Y}}_{2}\mathrm{Si}{\mathrm{O}}_{5}Y2​SiO5​. The electronic Zeeman, hyperfine, and quadrupole matrices are obtained from angular variations of the magnetic field in three orthogonal crystal planes. An excellent agreement is obtained between experimental and simulated magnetic field positions and relative intensities of EPR lines.
Various spectroscopic properties of Yb 3+ -doped Y 2 SiO 5 crystal have been extensively investigated due to its promising application in quantum information processing. However, the local structure, electronic structure of Yb 3+:Y 2 SiO 5 crystal, and its optical and magnetic properties have not been comprehensively studied from a theoretical viewpoint. In this work, the geometric and electronic structures of Yb 3+ that replaces two crystallographic Y 3+ sites in the Y 2 SiO 5 crystal are first obtained by the method of density functional theory (DFT). Then, the optical, electron paramagnetic resonance (EPR), and optically detected magnetic resonance (ODMR) spectra for 171 Yb 3+ (nuclear spin I = 1/2) at such two sites are simultaneously calculated in the framework of the complete diagonalization (of energy) matrix (CDM) based on the optimized local structure around 171 Yb 3+ ion by DFT. The various calculated spectroscopic properties by such combined theoretical approach are consistent with the experimental ones, which demonstrates that CDM is effective and particularly suitable for calculating hyperfine A -tensors under zero, low, and intermediate magnetic field. More importantly, based on the obtained accurate hyperfine structure of 171 Yb 3+ in Y 2 SiO 5 crystal, the possible “clock transitions”, which can enhance the optical coherence time, can be assigned or predicted by the present approach. This study successfully explains the spectroscopic properties of 171 Yb 3+ -doped Y 2 SiO 5 and provides a feasible method to design and search for practical rare-earth-doped quantum information materials for the community.
We report on the development and application of a parametrized crystal-field model for both C1{\mathrm{C}}_{1}C1​ symmetry centers in trivalent erbium-doped Y2SiO5{\mathrm{Y}}_{2}{\mathrm{SiO}}_{5}Y2​SiO5​. High-resolution Zeeman and temperature dependent absorption spectroscopy was performed to acquire the necessary experimental data. The obtained data, in addition to the ground (4I15/2Z1)(^{4}\mathrm{I}_{15/2}{\mathrm{Z}}_{1})(4I15/2​Z1​) state and exited (4I13/2Y1)(^{4}\mathrm{I}_{13/2}{\mathrm{Y}}_{1})(4I13/2​Y1​) state Zeeman and hyperfine structure, were simultaneously fitted in order to refine an existing crystal-field interpretation of the Er3+{\mathrm{Er}}^{3+}Er3+:Y2SiO5{\mathrm{Y}}_{2}{\mathrm{SiO}}_{5}Y2​SiO5​ system. We demonstrate that it is possible to account for the electronic, magnetic, and hyperfine structure of the full 4f114{f}^{11}4f11 configuration of Er3+{\mathrm{Er}}^{3+}Er3+:Y2SiO5{\mathrm{Y}}_{2}{\mathrm{SiO}}_{5}Y2​SiO5​ and further, that it is possible to predict both optical polarization behavior and high magnetic field hyperfine structure of transitions in the $1.5\text{\ensuremath{-}}\ensuremath{\mu}\mathrm{m}$ telecommunications band.
Spectroscopy, Crystal-Field, and Transition Intensity Analyses of the C3v_{\rm 3v}3v​(O2−^{2-}2−) Centre in Er3+^{3+}3+ Doped CaF2_{2}2​ Crystals
Erbium ions in crystals show considerable promise for the technologies that will form the backbone of future networked quantum information technology. Despite advances in leveraging erbium's fibre-compatible infrared transition for classical and quantum applications, the transitions are, in general, not well understood. We present detailed absorption and laser site-selective spectroscopy of the C3v_{\rm 3v}3v​(O2−^{2-}2−) centre in CaF2_22​:Er3+^{3+}3+ as an interesting erbium site case study. The 4^{4}4I15/2_{15/2}15/2​Z1→4_1 \rightarrow {^{4}}1​→4I13/2_{13/2}13/2​Y1_11​ transition has a low-temperature inhomogeneous linewidth of 1 GHz with hyperfine structure observable from the 167^{167}167Er isotope. A parametrized crystal-field Hamiltonian is fitted to 34 energy levels and the two ground state magnetic splitting factors. The wavefunctions are used to perform a transition intensity analysis and electric-dipole parameters are fitted to absorption oscillator strengths. Simulated spectra for the 4^{4}4I11/2→4_{11/2}\rightarrow {^{4}}11/2​→4I15/2_{15/2}15/2​ and 4^{4}4I13/2→4_{13/2} \rightarrow {^{4}}13/2​→4I15/2_{15/2}15/2​ inter-multiplet transitions are in excellent agreement with the experimentally measured spectra. The 4^{4}4I13/2_{13/2}13/2​ excited state lifetime is 25.0\,ms and the intensity calculation is in excellent agreement with this value.
We show that crystal-field calculations for C_{1} 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 C_{1}-symmetry site in ^{167}Er^{3+}:Y_{2}SiO_{5}. 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 Y_{2}SiO_{5}.