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  • Title: EPR parameters and local geometry for Cr3+ and V2+ ions in HfS2 crystals.
    Author: Qing Z, Wen-Chen Z, Xiao-Xuan W, Yang M.
    Journal: Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):769-72. PubMed ID: 16103006.
    Abstract:
    From the high-order perturbation formulas of EPR parameters (zero-field splitting D, g factors gparallel, gperpendicular and hyperfine structure constants Aparallel, Aperpendicular) based on the two spin-orbit coupling parameter model for 3d3 ions in trigonal symmetry, the EPR parameters of Cr3+ and V2+ ions in HfS2 crystals are calculated. From the calculations, it is found that the local trigonal distortion angle theta of impurity center in HfS2:Cr3+ is smaller than that in HfS2:V2+. The dominant cause of the small zero-field splitting |D| and g-anisotropy |Deltag|=|gparallel-gperpendicular| in HfS2:Cr3+ (compound to HfS2:V2+) is due to the small local trigonal distortion angle theta rather than to the small impurity-ligand distance R in HfS2:Cr3+.
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