Abstract
The optical and EPR spectra of octahedral Er 3+ center in LiNbO 3 have been studied by diagonalizing 364 × 364 complete energy matrices. The new set of crystal-field parameters that can well account for the Stark levels and EPR parameters have been obtained for Er 3+ ions in LiNbO 3. Simultaneously, by simulating the most reliable six-order parameter B 60 obtained, we have presented the evidence that the Er 3+ ions do not occupy the actual Li + site, but have a displacement along the C 3-axis away from the Li + center by about 0.0454 nm. The conclusion is well in accord with that drawn by earlier workers.
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