三角畸变立方晶场中d2离子的零场分裂与劈裂因子

用不可约张量方法,利用由广义Winier-Eckart定理得出的两个推论及有关结果,对三角畸变立方晶场中的d²离子,考虑到V_c及(V_t+H_s)产生的所有可能的相互作用,并用缩小因子来计入共价键与J-T效应,通过逐级微扰求得基态波函数,从而导出了g_∥, g_⊥与D的公式。应用于钒刚玉,通过全面拟合光谱与g_∥, g_⊥,D实验值,得到的结果与实验值较好的符合。对所用模型、方法、结果与考虑所有相互作用的重要性等问题作了讨论。 关键词：

THE ZERO-FIELD SPLITTING AND g-FACTORS OF d2 IONS IN A TRIGONALLY DISTORTED CUBIC CRYSTAL FIELD

By using the irreducible tensor operator method, two corollaries are derived from generalized Wigner-Eckart theorem and the results associated with the corollaries are obtained. For the d² ions in a trigonally distorted cubic crystal field, we have considered both the interactions of all possible V_c and (V_t+H_s) and taken into account the coval-ent bonding and dynamical Jahn-Teller effects with reduction factors. The groundstate wave functions are obtained through successive perturbations. Then the formulas of g_∥, g_⊥ and D are derived.In application to vanadium corundum, results in agreement with the experiments are obtained by overall fitting of the theoretical values to the observed values of D, g_∥, g_⊥ and absorption spectrum.Finally, we discuss the problems involved in our model, methods, results and importance of consideration of all interactions.