Theoretical studies of the electron paramagnetic resonance and optical spectra of Cr3+ions in the rhombohedral phase of a LaAlO3crystal

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Abstract
In this paper, by introducing a factor f to denote the contraction effect of perovskite crystals along the trigonal axis in the cubic-to-trigonal phase transition, the expressions for calculating the zero-field splitting D, the first excited-state splitting Delta (2E) and the anisotropy of the EPR g-factor (characterized by Delta g=g/sub ///-gperpendicular to ) for 3d3 ions in the trigonal phase of this perovskite structure from the rotation angle alpha have been put forward. On the basis of these expressions, the zero-field splitting D, the splitting Delta (2E) and the anisotropy of the g-factor for Cr3+ in the trigonal phase of a LaAlO3 crystal are calculated by using two parameters obtained from the optical spectra of a similar crystal. The results show reasonable agreement with the experimental values.