Zero‐Field Splitting and the Optical Fine Structure in Fe3+ :Al2O3 Crystals

The ZFS parameters D, F, and a of Fe 3+ in Al 2 O 3 are evaluated by taking the spin-orbit interaction as the perturbation to the crystal-field and the electrostatic potentials. Calculations are carried out up to fifth order and show a good convergence. Meanwhile, the optical fine structure is analyzed by diagonalizing the complete energy matrices. The obtained results are in good agreement with the experimental data reported in the literature

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