摘要
本文对Ln<sup>3+</sup>:LaCl<sub>3</sub>和Ln<sup>3+</sup>:LaBr<sub>3</sub>体系进行晶场能级分析,其主要目的有二:(一)对已测得的实验能级进行理论计算和归宿;(二)探讨能级间的相互作用及等价算符方法和不可约张量方法对该体系的适合程度。理论计算采用投影算符方法构成J=6,5,4,3,2,1,0的D<sub>3h</sub>不可约表示基矢。在整个计算过程中,晶场矩阵由相同不可约表示的基矢构成。对<sup>7</sup>F(J=6,5,4,3,2,1。
The Stark energy levels of ~7F_j (J=0, 1, 2, 3, 4, 5, 6) multiplets of Tb^(3+) (doped in LaBr_3 single crystal) were systematically analyzed by operator equivalent method and irreducible tensor method, crystal field J—Mixing effecfs being considered; meanwhile, the Stark energy levels of ~5D_4, ~5D_3 muitiplets were calculated by using D_(3h) irreducible representation basis constructed from the intermediate coupling wavefunctions of ~5D_4, ~5D_3 multiplets. The crystal field parameters used for calculation are as follows:
B_(20)=97.0,B_(40)=-43.0,B_(60)=-27.0,B_(60)=250.0cm^(-1)
Theoretical values are in good agreement with experimental observation.
出处
《化学研究与应用》
CAS
CSCD
1992年第4期81-85,共5页
Chemical Research and Application
关键词
等价算符方法
不可约张量方法
中间场耦合波函数
operator equivalent method
irredueibal tensor
intermediate coupling wavefunction