材料期刊网

In the present paper, the 45 X 45 energy matrix of the 3d(2) ions in trigonal symmetry with the strong-field-coupling mechanism is established. The forty-five optical energy levels and five EPR parameters (including the zero-field splitting D, g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) of ZnO : V3+ cryst are calculated from the diagonalization of this complete energy matrix. The calculated results are in agreement with the observed values. Based on the calculation, it was found that the local structure of V3+ impurity center is different from the corresponding structure in the host crystal, i.e., the V3+ ion in ZnO does not occupy the exact Zn2+ site, but is displaced by Delta Z approximate to 0.003 nm along the c(3) axis. The reasonableness of these results is discussed.