Paper Title:
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.

  Info
Periodical
Edited by
David J. Fisher
Pages
25-30
DOI
10.4028/www.scientific.net/DDF.282.25
Citation
Z. H. Zhang, S. Y. Wu, X. F. Wang, Y. X. Hu, "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
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Zhi Hong Zhang, Shao Yi Wu, Li Hua Wei, Yue Xia Hu
Abstract:The defect structures and the electron paramagnetic resonance (EPR) parameters zero-field splitting and the g factors for the tetragonal and...
117
Authors: Li Hua Wei, Shao Yi Wu, Yue Xia Hu, Xue Feng Wang
Abstract:The EPR g factors g// and g and the hyperfine structure constants for one substitutional Cu2+ center in CdS are theoretically investigated...
15
Authors: Yue Xia Hu, Shao Yi Wu, Xue Feng Wang, Li Li Li
Abstract:The spin Hamiltonian parameters (anisotropic g-factors and the hyperfine structure constants) and defect structure for Pt3+ in MgO are...
71
Authors: Xue Feng Wang, Shao Yi Wu, Yue Xia Hu, Pei Xu
Abstract:The axial shift and the spin Hamiltonian parameters (zero-field splitting D, the g factors and the hyperfine structure constants A// and A)...
77
Authors: Zhi Hong Zhang, Shao Yi Wu, Shan Xiang Zhang
Abstract:The defect structure for Ni3+ in ZnO crystal is theoretically investigated using the perturbation formulas of the spin Hamiltonian parameters...
41