Abstract
The electron paramagnetic resonance parameters (g factors g‖, g⊥ and hyperfine structure constants A‖, A⊥) of a tetragonal V4+ center in oxyfluoroborate glasses (20Li2O-10Li2F2-70B2O3) are theoretically investigated by using the perturbation formulas for a 3d1 ion in tetragonally compressed octahedra. The calculated results are in good agreement with the experimental data. Local structure parameters of [VO6]8- clusters are obtained from the calculation (i.e., R‖ ≈ 1.74 Å and R⊥ ≈ 1.985 Å for the metal-ligand distances parallel and perpendicular to the C4 axis, respectively). It is shown that the local structure around the V4+ ion possesses a compressed tetragonal distortion along C4 axis. The signs of the hyperfine structure constants A‖ and A⊥ for V4+ centers in oxyfluoroborate glasses were also suggested in the discussion.
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