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.

中文翻译：

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磷酸锌玻璃中钒氧的光谱和自旋哈密顿参数的研究

使用3d1离子的高阶扰动公式研究了钒酸锌在磷酸锌玻璃中的吸光光谱和自旋哈密顿参数（g因子g _||，_g⊥和超精细结构常数A _||，_A⊥）在四边形压缩的八面体中。在计算中，根据叠加模型估算所需的晶体场参数，并将光吸收带和自旋哈密顿参数与四方畸变相关联（以ΔR= _R⊥– R _||为特征，其中_R⊥和R _||表示垂直于和平行于C4轴的键长）。基于这些计算，获得四边形畸变ΔR（≈1.795Å），并且超精细结构常数A _||的负号。建议使用_A⊥。