[Zn(picol)_2(H_2O)_2]·H_2O:Cu单晶的g因子理论研究

An g factors study of Cu^(2+) ions in [Zn (picol)_2(H_2O)_2]·H_2O single crystal

应用微扰理论,计算了[Zn(picol)2(H2O)2]·H2O:Cu单晶的g因子gx、gy、gz的理论值,并用其与实验值进行比较.发现g因子的理论计算值与实验值相一致,并且理论计算值g x、g y、g z之间满足gz>gy>gx的关系,从理论上证实了关于[Zn(picol)2(H2O)2]·H2O:Cu中Cu2+离子的基态处于dx2-y2的推测.

Using the perturbation theory, this paper studies the g factors of Cu2＋ ions in [Zn（picol）2（H2O）2]·H2O single crystal. It finds that the calculated values ofg factors are well agreed with the experimental values. The calculated g values gx、gy、gz are of the order of gz〉gy〉gx, which confirms that the ground of the electron is d（x2-y2）