Theoretical studies of the Spin Hamiltonian Parameters for the orthorhombic Pr4+ ion in SrCeO3 crystal

Hui-Ning Dong, Shao-Yi Wu, Jun Liu, David J. Keeble

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    Abstract

    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.

    Original languageEnglish
    Pages (from-to)705-707
    Number of pages3
    JournalJournal of Alloys and Compounds
    Volume451
    Issue number1-2
    DOIs
    Publication statusPublished - 28 Feb 2008

    Keywords

    • crystal field theory
    • electron paramagnetic resonance
    • superposition model
    • SrCeO3
    • Pr4+
    • RARE-EARTH IONS
    • SPECTRUM
    • BAPRO3
    • FIELD
    • EPR

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