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Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal
Abstract
The optical spectrum band positions and electron paramagnetic resonance (EPR) parameters – g factors (gx, gy, gz) and the hyperfine structure constants (Ax, Ay, Az) for Cu2+ doped in LiNbO3 crystal are theoretically investigated using the perturbation formulas of these EPR parameters for a 3d9 ion under rhombically elongated octahedra based on the cluster approach. The doped Cu2+ was assumed to substitute for the host Li+ in the lattice, with a different local environment from the original Li+ due to size mismatch and the Jahn–Teller effect. Based on the calculations, the Cu-O bonds are found to suffer the axial elongation δz (~0.0611 Å) along the z-axis, and the planar bond length experiences an additional variation δr (~0.0861 Å) along the x- and y-axis respectively. Meanwhile, the ground-state wave function for the Cu2+ center in LiNbO3 was also obtained.
About the Authors
Z.-F. Zhou
College of Physics and Electronic Information, Shangrao Normal College;
Research Center of Intelligent Engineering Technology of Electronic Vehicle Parts in Jiangxi Province
China
China
Shangrao Jiangxi
F. Chen
College of Physics and Electronic Information, Shangrao Normal College;
Research Center of Intelligent Engineering Technology of Electronic Vehicle Parts in Jiangxi Province
China
China
Shangrao Jiangxi
J. Yang
College of Physics and Electronic Information, Shangrao Normal College;
Research Center of Intelligent Engineering Technology of Electronic Vehicle Parts in Jiangxi Province
China
China
Shangrao Jiangxi
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Review
For citations:
Zhou Z., Chen F., Yang J. Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal. Zhurnal Prikladnoii Spektroskopii. 2022;89(2):191-197.
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