Experimental and Theoretical Investigation of the Spin Hamiltonian Parameters for the Cr3+ Ion in a BeAl2O4:Cr3+ Crystal

The electron paramagnetic resonance of the Cr3+ ion in an alexandrite single crystal was explored. The angular dependence of the resonance fields observed using an X-band spectrometer in the crystallographic planes were analyzed using the monoclinic spin Hamiltonian. The spectroscopic splitting tensors gi and the 2nd order zero field splitting parameters |D| and |E| for the Cr3+ center at Al3+ site with mirror symmetry (Cs) in an alexandrite crystal were calculated using the crystal field theory for Cs symmetry. Then, the theoretical values were compared with the experimental values. The calculated spin Hamiltonian parameters explain nicely the experimental parameters for the Cr3+ center with mirror symmetry.

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