某些低对称矿物中二价铜离子晶场光谱的计算

THE CALCULATION OF CRYSTAL FIELD SPECTRA OF Cu^(2+)IONS IN SOME MINERALS OF LOW SYMMETRY

Reported in this paper are the expressions for the crystal field potential energy and perturbation matrix elements for the symmetry of C4v, D2h and Ci, by which the crystal field spectra of Cu^2+ ions in the minerals such as metatorbernite, conichalcite and turquoise have been calculated. In our calculation, the values uf (r^3) and (r^4)are determined by the empirical radial-wave function cited from reference [1]. The results obtained are essentially consistent with the experimental data.

Eeported in this paper are the expressions for the crystal field potential energy and perturbation matrix elements for the symmetry of C4v, -D2h and Ci, by which the crystal field spectra of Cu2+ ions in the minerals such as metatorbernite, conichalcite and turquoise have been calculated. In our calculation, the values of (r2) and (r4) are determined by the empirical radial-wave function cited from reference [1]. The results obtained are essentially consistent with the experimental data.