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- Title
Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu<sup>2+</sup> Ions in LiNbO<sub>3</sub> Crystal.
- Authors
Zhou, Z.-F.; Chen, F.; Yang, J.
- 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.
- Subjects
ELECTRON paramagnetic resonance; OPTICAL spectra; JAHN-Teller effect; HYPERFINE structure; WAVE functions; ELECTRON paramagnetic resonance spectroscopy
- Publication
Journal of Applied Spectroscopy, 2022, Vol 89, Issue 2, p244
- ISSN
0021-9037
- Publication type
Article
- DOI
10.1007/s10812-022-01350-4