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Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal

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Journal of Applied Spectroscopy Aims and scope

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.

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Authors and Affiliations

  1. College of Physics and Electronic Information, Shangrao Normal College, Shangrao, Jiangxi, China

    Z.-F. Zhou, F. Chen & J. Yang

  2. Research Center of Intelligent Engineering Technology of Electronic Vehicle Parts in Jiangxi Province, Shangrao, China

    Z.-F. Zhou, F. Chen & J. Yang

Authors
  1. Z.-F. Zhou
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  2. F. Chen
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  3. J. Yang
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Correspondence to Z.-F. Zhou.

Additional information

Published in Zhurnal Prikladnoi Spektroskopii, Vol. 89, No. 2, pp. 191–197, March–April, 2022.

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Zhou, ZF., Chen, F. & Yang, J. Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal. J Appl Spectrosc 89, 244–250 (2022). https://doi.org/10.1007/s10812-022-01350-4

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  • DOI: https://doi.org/10.1007/s10812-022-01350-4

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