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Journal of Physics Condensed Matter

Ytterbium-ion pairs in Yb:CsCdBr3; ion-ion interaction and the electronic ground state investigated by electron paramagnetic resonance spectroscopy

V. Mehta, Didier Gourier

Published May 4, 2001• 15 citations
Publisher

Abstract

Electron paramagnetic resonance spectra of Yb 3+ ions in the optically bistable compound Yb:CsCdBr 3 are presented. The features observed are assigned to the symmetrically coupled pair complexes of the type Yb 3+ -V Cd -Yb 3+ (V Cd being a cadmium vacancy) whose axis is parallel to the crystallographic c -axis. There are no asymmetric pairs of the type Yb 3+ -Yb 3+ -V Cd . It is shown that simulation of the spectra is possible only if an exchange interaction is taken into account in the spin Hamiltonian. The value of J = -0.0016 cm -1 shows that the exchange interaction is antiferromagnetic but extremely weak. It is also found that there is a significant relaxation (about 12%) of Yb 3+ ions toward the Cd vacancy. From the experimental g -tensor values, it is established that the lower ground state of Yb 3+ ions in CsCdBr 3 is mainly composed of 4f ϕ (63%) and 4f δ (32%) ytterbium orbitals. It has been previously proposed that optical bistability is due to asymmetric pairs of the type Yb 3+ -Yb 3+ -V Cd . On the basis of the present work, this now appears unlikely.

DOI
10.1088/0953-8984/13/20/317

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Electron paramagnetic resonance spectra of Yb 3+ ions in the optically bistable compound Yb:CsCdBr 3 are presented. The features observed are assigned to the symmetrically coupled pair complexes of the type Yb 3+ -V Cd -Yb 3+ (V Cd being a cadmium vacancy) whose axis is parallel to the crystallographic c -axis. There are no asymmetric pairs of the type Yb 3+ -Yb 3+ -V Cd . It is shown that simulation of the spectra is possible only if an exchange interaction is taken into account in the spin Hamiltonian. The value of J = -0.0016 cm -1 shows that the exchange interaction is antiferromagnetic but extremely weak. It is also found that there is a significant relaxation (about 12%) of Yb 3+ ions toward the Cd vacancy. From the experimental g -tensor values, it is established that the lower ground state of Yb 3+ ions in CsCdBr 3 is mainly composed of 4f ϕ (63%) and 4f δ (32%) ytterbium orbitals. It has been previously proposed that optical bistability is due to asymmetric pairs of the type Yb 3+ -Yb 3+ -V Cd . On the basis of the present work, this now appears unlikely.
In CsCdBr3 the trivalent Rare-Earth (RE) ions substitute for the divalent Cd ions. For reasons of charge compensation and the specific crystal structure, RE centers of the form RE3+ - (Cd vacancy) - RE3+ are preferentially formed. These symmetric pair centers are very suitable for studying cooperative effects of RE ions. These include processes between the ions of the pair as well as processes between the coupled pair and the electronic excitations of the host lattice. Experiments will be shown and discussed on: (i) cross relaxation and up-conversion by direct ion-ion interaction; (ii) cooperative cross relaxation of the Pr3+ pairs with the host lattice; and (iii) cooperative vibronic emission of the Pr3+ pairs with high phonon progressions.
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.
In its regular charge state Yb 3+ , the ytterbium impurity in indium-phosphide has the electronic configuration 4f 13 , orbital momentum L = 3 and spin S = 1/2. Ground and excited states with the total spins J = 7/2 and J = 5/2, respectively, are formed by spin-orbit interaction. The EPR spectrum of the centre provides by resolved hyperfine interactions with the isotopes 171 Yb (nuclear spin I = 1/2, natural abundance α = 14%) and 173 Yb (I = 5/2, a = 16%) direct evidence for a one-ytterbium centre in a high-symmetry environment The optical transition between the excited and ground states with an energy around wavenumber σ = 9985 cm -1 (wavelength λ = 1.0015 μm) is easily observed in photoluminescence. A cubic crystal field lifts the eight-fold degeneracy of the ground state 2 F 7/2 into a Γ 6 doublet, a F, doublet and a Γ 8 quartet, whereas the excited state 2 F 5/2 is split into a Γ 7 doublet and a Γ 8 quartet. The ordering of the crystal-field levels is still a matter of discussion, both for the ground and excited spin-orbit multiplets. Several experiments providing information on the ordering will be briefly discussed. These include the luminescence intensity, temperature, hydrostatic stress and magnetic field effects on the optical spectrum, magnetic resonance, together with a crystal-field analysis. A conclusion towards a Γ 7 - Γ 6 - Γ 8 ordering for the ground state multiplet and Γ 7 - Γ 8 for the excited state multiplet, known as the Masterov model, will be drawn.
We report the first observation of intrinsic optical bistability in CsCdBr3:1{\mathrm{CsCdBr}}_{3}:1%CsCdBr3​:1 Yb3+{\mathrm{Yb}}^{3+}Yb3+ and show, using site-selective spectroscopy, that only the asymmetric, strongly coupled Yb3+{\mathrm{Yb}}^{3+}Yb3+ ion-pair minority site gives rise to hysteresis of near-infrared and cooperative up-conversion luminescence as a function of incident laser intensity below 15 K.
Electron paramagnetic resonance (EPR) was detected in the ground state of Ce 3+ ions in YAG:Ce single crystals by monitoring the intensity of photoluminescence under nonresonant excitation. The photoluminescence intensity was found to increase strongly in magnetic field at liquid helium temperature. The optically detected magnetic resonance (ODMR) effect was of the order of percents and corresponded to resonance decrease in the luminescence intensity. ODMR correlated with the conventional EPR spectra of Ce 3+ ions, which occupy the dodecahedral Y 3+ sites in the YAG crystal lattice. The increase of the PL intensity in magnetic field was concluded to be caused by Boltzmann distribution between spin sublevels of the ground state of Ce 3+ ions. The ODMR tend to equalize the populations of levels in resonance and results to a decrease of PL intensity. Different types of Ce 3+ centres characterized by the presence of nearby antisite defects were observed, which should be taken into account in applications of single ion spectroscopy based applications of YAG:Ce.
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.