On standardization of the spin Hamiltonian and the ligand field Hamiltonian for orthorhombic symmetry

C. Rudowicz; Richard Bramley

doi:10.1063/1.449731

journal article Nov 15, 1985

On standardization of the spin Hamiltonian and the ligand field Hamiltonian for orthorhombic symmetry

C. Rudowicz Richard Bramley

The Journal of Chemical Physics Vol. 83 No. 10 pp. 5192-5197 · AIP Publishing

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Abstract

The idea that the ratio E/D ≡ λ can be confined by a proper choice of the axis system to the range (0,±1/3) serves as a basis for the standardization of the spin Hamiltonian and the ligand field Hamiltonian for orthorhombic symmetry. Due to recent results on the transformation of the Stevens operators Oqk, relations are given which allow for extension of the standardization to the spin Hamiltonian for paramagnetic centers with spin S≥2. Several EPR studies of 3dn and 4 f n ions in crystals are reconsidered. The results prove the usefulness of the clear choice of the parameters Bqk suggested by the standardization idea. Application of the standardization in the area of the ligand field theory, which seems rather novel, is also considered. Crystal-field parameters for several rare earth ions in garnets are recalculated. An arbitrary choice from among the equivalent sets of the crystal-field parameters used in the review by Morrison and Leavitt (1982) should be replaced by a transformation to the ‘‘standard’’ set.

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Details

Published: Nov 15, 1985
Vol/Issue: 83(10)
Pages: 5192-5197

Authors

C

C. Rudowicz

Research School of Chemistry, The Australian National University, G.P.O. Box 4, Canberra, A.C.T. 2601, Australia

R

Richard Bramley

Research School of Chemistry, The Australian National University, G.P.O. Box 4, Canberra, A.C.T. 2601, Australia

Cite This Article

C. Rudowicz, Richard Bramley (1985). On standardization of the spin Hamiltonian and the ligand field Hamiltonian for orthorhombic symmetry. The Journal of Chemical Physics, 83(10), 5192-5197. https://doi.org/10.1063/1.449731

On standardization of the spin Hamiltonian and the ligand field Hamiltonian for orthorhombic symmetry

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