Investigation of the EPR Parameters and Local Structures for the Tetragonal Ti3+-O2--VM Centers in MgO and CaO Crystals
Yang Meia, Xiao-Xuan Wub, Feng Wen-Linc, Wen-Chen Zhengd
aSchool of Mathematics & Physics, Mianyang Teachers' College, Mianyang Normal University, Mianyang 621000, People's Republic of China
bDepartment of Physics, Civil Aviation Flying Institute of China, Guanghan 618307, People's Republic of China
cDepartment of Applied Physics, Chongqing University of Technology, Chongqing 400054, China
dDepartment of Material Science, Sichuan University, Chengdu 610064, People's Republic of China
Received: March 28, 2017
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The EPR parameters (g factors g, g and hyperfine structure constants A, Abot) of the tetragonal Ti3+-O2--VM centers in MgO and CaO crystals are calculated from the high-order perturbation formulae based on the cluster approach. The calculated results are in reasonable agreement with the observed values. The local structural parameters for the tetragonal Ti3+ centers in both crystals are also obtained from the calculation. These results are discussed.

PACS numbers: 76.30.Fc, 71.70.Ch, 75.10.Dg