Department of Material Science, Sichuan University, Chengdu 610064, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2010 Sep 15;77(1):276-8. doi: 10.1016/j.saa.2010.05.022. Epub 2010 May 24.
The electron paramagnetic resonance (EPR) parameters (g factors and hyperfine structure constants of the ground state, and g factors of the first excited state) of three (one cubic and two trigonal) Er(3+) centers in fluoride-type ThO(2) crystal are studied from a diagonalization (of energy matrix) method. In the method, the Zeeman and hyperfine interaction terms are added to the classical Hamiltonian, and a 52 x 52 energy matrix concerning the ground multiplet (4)I(15/2) and the first to third excited multiplets (4)I(13/2), (4)I(11/2) and (4)I(9/2) is established for a 4f(11) ion in trigonal crystal field and under an external magnetic field. From the studies, the EPR parameters for three Er(3+) centers in ThO(2) are reasonably explained, the defect models for the two trigonal Er(3+) centers suggested in the previous paper are confirmed and the defect structures of the two trigonal centers are obtained. The results are discussed.
从对角化(能量矩阵)方法研究了氟化物型 ThO(2)晶体中三个(一个立方和两个三角)Er(3+)中心的电子顺磁共振(EPR)参数(基态的 g 因子和超精细结构常数,以及第一激发态的 g 因子)。在该方法中,将塞曼和超精细相互作用项添加到经典哈密顿量中,并为三角晶场中的 4f(11)离子和外加磁场下的基态多重态(4)I(15/2)以及第一到第三激发多重态(4)I(13/2)、(4)I(11/2)和(4)I(9/2)建立了一个 52 x 52 能量矩阵。通过研究,合理地解释了 ThO(2)中三个 Er(3+)中心的 EPR 参数,证实了之前论文中提出的两个三角 Er(3+)中心的缺陷模型,并得到了两个三角中心的缺陷结构。讨论了结果。