The optical absorption spectra and spin-Hamiltonian parameters (g factors g||, g⊥, and hyperfine structure constants A||, A⊥ ) of vanadyl in zinc phosphate glass are investigated, using the high-order perturbation formulas for a 3d1 ion in tetragonally compressed octahedra. In the calculations, the required crystal-field parameters are estimated from the superposition model, and the optical absorption bands and spin-Hamiltonian parameters are linked with the tetragonal distortion (characterized by ΔR = R⊥ – R||, where R⊥ and R|| denote the bond lengths perpendicular and parallel to the C4 axis). Based on the calculations, the tetragonal distortion ΔR (≈1.795 Å) was obtained, and negative signs of the hyperfine structure constants A|| and A⊥ are suggested.
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Published in Zhurnal Prikladnoi Spektroskopii, Vol. 87, No. 3, pp. 413–417, May–June, 2020.
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Feng, CD., Huang, HX., Xiao, WB. et al. Investigation of the Optical Spectra and Spin-Hamiltonian Parameters for Vanadyl in Zinc Phosphate Glass. J Appl Spectrosc 87, 452–456 (2020). https://doi.org/10.1007/s10812-020-01022-1
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DOI: https://doi.org/10.1007/s10812-020-01022-1