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

被引：2
|
作者：
Gong, J. T. [1 ]
Wang, L. J. [2 ]
Feng, W. L. [3 ,4 ]
Yang, X. Z. [3 ]
Zhang, F. [3 ]
机构：
[1] Mianyang Normal Univ, Sch Phys & Electron, Mianyang 621000, Peoples R China
[2] Neijiang Normal Coll, Dept Phys & Elect Engn, Neijiang 641112, Peoples R China
[3] Chongqing Univ Technol, Dept Appl Phys, Chongqing 400054, Peoples R China
[4] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
来源：
ACTA PHYSICA POLONICA A | 2011年 / 120卷 / 03期
关键词：
ELECTRON-PARAMAGNETIC-RESONANCE; ATOMIC SCREENING CONSTANTS; SCF FUNCTIONS; NI2+; ION; EPR; CHLORIDE; MN2+;
D O I：
10.12693/APhysPolA.120.497
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
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 (Delta R and tau(Ni24+)) 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.
引用
收藏
页码：497 / 500
页数：4
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