The perturbation formulae of the Spin Hamiltonian Parameters (EPR parameters anisotropic gyromagnetic factors g(x), g(y), g(z) and hyperfine structure constants A(x), A(y), A(z)) for the lowest Kramers doublet of F-2(5/2) of 4f(1) ion in orthorhombic symmetry are established. In these formulae, the contributions of the covalence effects, the admixture between J=5/2 and J=7/2 states as well as the second-order perturbation are all included. The crystal field parameters for the studied Pr4+ center are calculated from the superposition model and the crystal structure data. Based on the perturbation equations and related parameters, the g factors g(x), g(y), g(z) and hyperfine structure constants A(x), A(y), A(z) for orthorhombic Pr4+ ion in SrCeO3 are calculated. The results are in reasonable agreement with the observed values. The results are discussed. (C) 2007 Elsevier B.V. All rights reserved.
- crystal field theory
- electron paramagnetic resonance
- superposition model
- RARE-EARTH IONS