材料期刊网

The complete strong-field-matrices for d2,8(C3v*) ions are constructed within an O(h)- point-group representation. Based on the eigenvalues and eigenvectors of these matrices, a complete-configuration-mixing EPR theory is established for Ni2+ ions in CsMgX (X = Cl, Br,I) kind crystals, and accordingly, a uniform calculation is performed for the optical absorption spectrum, the zero-field-splitting and Zeeman splitting of the ground state, the EPR parameters D and g and the EPR conditions (B,h-nu) of Ni2+ impurity ions in a CsMgCl3 crystal. The results are in very good agreement with the experimental, thus a uniform theoretical interpretation is achieved for the optical and magnetic properties of Ni2+:CsMgCl3 for the first time.