Explanation of the Optical Spectra and Spin-Hamiltonian Parameters for Nickel(II) in Cadmium Bromide Crystal

Abstract

Based on crystal-and ligand-field theory, double-spin-orbital coupling approach was used to analyze the crystal-field energy levels and spin-Hamiltonian parameters of Ni 2+ ion at trigonal site in CdBr 2 . The local lattice distortion (∆R and τ Ni 2+ ) is estimated from the crystal field parameters; the crystal field energy Hamiltonian was diagonalized in the full basis consisting of 45 wave functions of the Ni 2+ ion. Results of calculations are in good agreement with experimental data. The reasonableness of the theoretical results is discussed.

Theoretical Studies of ESR Parameters and Local Lattice Structure of the Vanadate-Lithium-Borate Glasses

“…ESR/ EPR technology can be used widely to investigate the local lattice structure information about the glassy network and to identify the point symmetry around the transition metal or rare earth ions [13]. V 4+ , as an important probe ion, can provide useful information regarding the structure of their network environment in a glass, because their ESR spectra are simple [4,5]. …”