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

J.T. Gonga, L.J. Wangb, W.L. Fengc, d, X.Z. Yangc and F. Zhangc aSchool of Physics and Electron, Mianyang Normal University, Mianyang, 621000, China bDepartment of Physics and Electronic Engineering, Neijiang Normal College, Neijiang, 641112, China cDepartment of Applied Physics, Chongqing University of Technology, Chongqing, 400054, P.R. China dInternational Centre for Materials Physics, Chinese Academy of Sciences, Shenyang, 110016, P.R. China

Received: June 28, 2010

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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 Ni2+ ion at trigonal site in CdBr2. The local lattice distortion (Δ R and τNi2+) 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 Ni2+ ion. Results of calculations are in good agreement with experimental data. The reasonableness of the theoretical results is discussed.

DOI: 10.12693/APhysPolA.120.497 PACS numbers: 71.70.Ch, 75.10.Dg, 61.72.Bb, 76.30.Fc