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Crystal field parametrizations for low symmetry systems

    • University of Canterbury

    Research output: Contribution to journal › Article › peer-review

    Abstract

    For lanthanide ions in sites with no axis of symmetry (C1 or Ci symmetry) there is no obvious choice for the quantization axis. In these cases, the orientation of the lanthanide site may be rotated by three arbitrary Euler angles φ1 θ, and φ2, where φ1 and θ determine the orientation of the z axis, and φ2 determines the orientation of the crystal about the z axis. We show that appropriate selection of these three Euler angles allows the number of independent crystal-field parameters to be reduced from 27 to 24. This paper explores the possible ways of performing this parameter reduction, and presents the relationship between the different sets of resulting crystal-field parameters.
    Original languageAmerican English
    Pages (from-to)1141-1147
    JournalMolecular Physics
    Volume102
    Issue number11-12
    DOIs
    StatePublished - 2004

    Disciplines

    • Physics

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