KZnF_3:Mn^(2+)的光谱和电子顺磁共振谱分析

Inetigation on Epr and Abspectrum of KZnF_3:Mn^(2+)

本文使用Mn^(2+)的参量化d轨道和d^5电子Oh对称的双值不可约表示Hamiltonian矩阵对KZnF_3:Mn^(2+)和KMnF_3的吸收光谱和电子顺磁共振(EPR)谱进行了研究。从这些分析中我们得出了B、C和Dq对MnF_6^(4-)结构参量R的依靠关系,在实验误差范围内,B和C是常数,仅Dq随R变化,且给出了定量关系。并由KZnF_3:Mn^(2+)在15-300K温度范围内的吸收光谱和电子顺磁共振谱求得Mn^(2+)～F^-键长R的热膨胀为R=0.207 0～0.208 0nm.和dR/dT=3.508 8x10^(-6)nm/K。

The EPR cubic zero-field splitting parameter a and the absorption spectrum forKZnF_3:Mn^(2+) and KMnF_3 is investisated by using the parametrisation d orbital for Mn^(2+) and theHamilton matrices of the irreducible representations of the double group Oh for the d^5 cinfigurations.From these data we have studied the dependence of parameters B,C and Dq on R the distance in the MnFcomplex.This analysis reveals that within the expermental errors,B and C are constants and Dq changewith R.The present research receives a quantitative relationship between Dq and R.The thermal expan-sion of the Mn^(2+)-F^-bond,R=0.2075(±0.0005)nm and dR/dT=3.5088*10^(-6)nm/K,for KZnF_3:Mn^(2+)inthe 15——300K temperature range has been studied.