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  • Access by Xinjiang University

Zero-Field Splitting of a S6 Ion in Trigonal Symmetry

R. R. Sharma

  • Department of Physics, University of Illinois, Chicago, Illinois 60680

Phys. Rev. B 3, 76 – Published 1 January, 1971

DOI: https://doi.org/10.1103/PhysRevB.3.76

Abstract

The expressions for various possible mechanisms under the point-multipole approximation which contribute to the zero-field splitting parameter S6 in the spin Hamiltonian D for a paramagnetic HS=D[3Sz2S(S+1)] ion in a trigonal symmetry have been derived. Important differences have been noticed in this axial symmetry in contrast with the results in the tetragonal symmetry considered previously. The applications of the expressions to two hypothetical cases and the real case of CdCl2:Mn2+ reveal that both the spin-spin and spin-orbit interactions are important. In the case of CdCl2:Mn2+, the spin-orbit contribution (10.43×104 cm1) cancels a large part of the spin-spin contribution (+15.35×104 cm1), giving the value D=+4.92×104 cm1. This compares favorably with the results (at room temperature) of < +5×104 cm1 for D from experiments on single crystals and ∼ + 1×104 cm1 from experiments on powdered samples. The latter approximate result from powdered samples has been deduced by reducing the uncertainty in D using the graph illustrating the experimental variation of D with temperature. For CdCl2:Mn2+ it has also been pointed out that the value of D varies from -2.11×104 cm1 to + 10.49×104 cm1 if one considers the existing uncertainty in the crystal structure parameter obtained from x-ray diffraction. In the present study, the presence of higher multipoles because of the ions, and the distortion of the lattice surrounding the magnetic ion, have not been taken into account.

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