Studies of the Spin Hamiltonian Parameters for NiX2 and CdX2:Ni2+ (X=Cl, Br)

Abstract:

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The spin Hamiltonian parameters (zero-field splitting D and the g factors) for NiX2 and CdX2:Ni2+ (X=Cl, Br) are quantitatively investigated from the perturbation formulas of these parameters for a 3d8 ion in trigonally distorted octahedra based on the cluster approach. In the calculations, the trigonal field parameters  and ′ are determined from the superposition model and the local structures of Ni2+ in the halides. The theoretical g factors show reasonable agreement with the observed values, and the experimental D for CdX2:Ni2+ are also interpreted by considering suitable lattice distortions (angular decreases) in the impurity-ligand bond angles related to the C3 axis due to the size mismatching substitution. The contributions from the ligand orbital and spin-orbit coupling interactions are important and should be taken into account.

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Periodical:

Edited by:

David J. Fisher

Pages:

25-30

DOI:

10.4028/www.scientific.net/DDF.282.25

Citation:

Z. H. Zhang et al., "Studies of the Spin Hamiltonian Parameters for NiX2 and CdX2:Ni2+ (X=Cl, Br)", Defect and Diffusion Forum, Vol. 282, pp. 25-30, 2008

Online since:

January 2009

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$35.00

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