六配位与八配位O_h对称晶场中Mn^(2+)光谱及基态立方零场分裂研究

A Study of the Spectrum and the Cubic Zero-field Splitting of Mn^2+ Ions in Six and Eight Ligand O_h Symmetric Crystal Field

CaF2晶体掺入Mn2+后,Mn2+取代了Ca2+,受到8个邻近的F-所产生的八配位立方Oh对称晶场作用,Mckeever等计锋了Mn2+的吸收谱,其基态立方零场分裂参量α已有实验观测值,1984年段明谦等嘲用高阶微扰公式试图给出零场分裂参量的理论解释,KZnF3、

A group of complete, strong-field-energy matrices for the perturbed Hamiltonian H' of the d5 ion system are constructed by using the Oh group representation strong field scheme. From this , we have successfully obtained a unified theoretical explanation of the spectrum and the cubic zero-field splitting of the ground state of Mn2+ ions in eight-ligand system (CaF2) and six-ligand system (KZnF3. RbCdF3) for the first time. The calculated values are in good agreement with the observed result.