[Studies of the g factor and optical spectra for CaZrO3:Mn4+ crystal].
The complete high-order perturbation formula of g factor for 3d(3) ions in cubic octahedral site was derived. In the formula, both the contribution delta g(CF) to g-shift delta g (= g-g(s), where g(s) = 2.0023) due to crystal-field (CF) mechanism (related to the interactions of CF excited states with the ground state) and that (delta g(CT)) due to charge-transfer (CT) mechanism (related to the interactions of CT excited states with the ground state, which is omitted in crystal-field theory) are included. By using the formula and the parameters obtained from the optical spectra of CaZrO3:Mn4+ crystal, the g factor of CaZrO3:Mn4+ was calculated. The result is consistent with the experimental value. The calculations show that the contribution is opposite in sign and about 62% in magnitude compared with the contribution delta g(CF). It appears that both CF and CT mechanisms should be considered in the calculation of g factor for the high valence 3d(3) (e. g. , Mn4+ and Fe3+) ions in crystals.
Wu
Xiao-xuan
XX
Department of Physics, Civil Aviation Flying University of China, Guanghan 618307, China. wxxdd@163.com
Feng
Wen-lin
WL
Zheng
Wen-chen
WC