Theoretical Calculation of Zero-Field Splitting Parameters for Mn2+ in Potassium Hydrogen Sulphate

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作者
Awadhesh Kumar Yadav
Upendra Mani Tripathi
Ram Kripal
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[1] University of Allahabad,EPR Laboratory, Department of Physics
来源
Applied Magnetic Resonance | 2022年 / 53卷
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摘要
Zero-field splitting (ZFS) parameters D and E are calculated using the superposition model (SPM) for Mn2+ ion in potassium hydrogen sulphate (KHS) single crystal. The ZFS parameters D = 59.4 × 10–4 cm−1 and E = 8 × 10–4 cm−1 obtained are compared with the experimental values for substitutional site of Mn2+ ion. The SPM provide ZFS parameters similar to those of experimental ones. This supports the result of experimental study that the impurity ion occupies substitutional K+ site in KHS.
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页码:941 / 947
页数:6
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