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

Zhi Hong Zhang; Shao Yi Wu; Xue Feng Wang; Yue Xia Hu

doi:10.4028/www.scientific.net/DDF.282.25

Paper Titles

Structural and Electron-Hopping Studies of Pr and Nd Substituted La_2/3Ba_1/3MnO₃ Manganites
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Recrystallization Annealing of Cold Rolled 9Cr 1Mo Ferritic Steel Containing Silicon
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Quantitative Concept for Morphological Stability Analysis of Liquid-Solid Interface in Rapid Solidification of Dilute Binary Alloys
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Studies of the Spin Hamiltonian Parameters for NiX₂ and CdX₂:Ni²⁺ (X=Cl, Br)
p.25

HomeDefect and Diffusion ForumDefect and Diffusion Forum Vol. 282Studies of the Spin Hamiltonian Parameters for...

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

Abstract:

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.