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EPR, Optical Absorption and Superposition Model Studies of Fe3+-Doped Diammonium Hexaaqua Magnesium Sulfate: A Case of Hyperfine Structure

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Abstract

An electron paramagnetic resonance (EPR) study of Fe3+-doped diammonium hexaaqua magnesium sulphate single crystal is carried out at liquid nitrogen temperature. EPR spectrum shows two sites. The spin-Hamiltonian parameters are evaluated from angular variation of observed hyperfine lines. Fe3+ ion enters the host lattice substitutionally at site I, replacing Mg2+, whereas it enters interstitially at site II. The local site symmetry of Fe3+ ion within the host lattice is orthorhombic. An optical absorption study is performed at room temperature. Using the optical absorption spectrum the bands are assigned and the Racah parameters (B and C) and cubic crystal field splitting parameter Dq are determined. The nature of metal–ligand bonding in the crystal is determined using EPR and optical data. Crystal field parameters and zero-field splitting parameters (ZFSPs) are evaluated theoretically for both the sites using superposition model and microscopic spin Hamiltonian together with perturbation equations, respectively. The theoretically evaluated ZFSPs are in good agreement with the experimental values.

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Acknowledgments

We are grateful to the Head, SAIF, I.I.T. Mumbai, Powai, Mumbai for providing the facility of EPR spectrometer. One of the authors, Shri Devi Pandey, is grateful to the Head, Department of Physics, University of Allahabad, Allahabad for providing departmental facilities.

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Authors and Affiliations

  1. EPR Laboratory, Department of Physics, University of Allahabad, Allahabad, 211002, India

    Ram Kripal & Shri Devi Pandey

  2. Department of Physics, CAV Inter College, Allahabad, Uttar Pradesh, India

    Madan Gopal Misra

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  1. Ram Kripal
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  2. Shri Devi Pandey
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  3. Madan Gopal Misra
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Correspondence to Ram Kripal.

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Kripal, R., Pandey, S.D. & Misra, M.G. EPR, Optical Absorption and Superposition Model Studies of Fe3+-Doped Diammonium Hexaaqua Magnesium Sulfate: A Case of Hyperfine Structure. Appl Magn Reson 44, 1295–1310 (2013). https://doi.org/10.1007/s00723-013-0483-5

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  • DOI: https://doi.org/10.1007/s00723-013-0483-5

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