摘要
采用点群链R(3)OD3关系来标记D3点群的斯塔克能级.基于双层点电荷配位场(DSCPCF)和经典的简单点电荷配位场(PCF)两种模型,利用自编的计算程序,对三角对称(D3)掺杂晶体YAB∶Eu中Eu3+离子的配位场微扰能级进行理论计算和归属.通过与实验能级比较,结果表明:按照配合物的实际配位结构,利用较少的拟合参数,PSCPCF模型得到比PCF模型更为合理的能级分布和精确的能级分裂值.
The Stark components of D3-point group were classified according to the point group chain relation SO（3） O D3.Based on both the Double-sphere Coordination Point-charge Field （DSCPCF） and the simple static coordination Point Charge Field （PCF） models, the coordination field perturbation energies of Eu^3＋ ion in doped crystal YAB：Eu （D3） were theoretically analyzed using self-compiled computer program. The calculated results of the DSCPCF model were in more reasonably good agreement with experimental observation and more superior to that of the PCF model, which was based on the actual coordination structure of the compound and used less simulated parameters.
出处
《分子科学学报》
CAS
CSCD
北大核心
2009年第3期183-187,共5页
Journal of Molecular Science
基金
山西省自然科学基金资助项目(2007011025)
山西省留学归国基金资助项目(2006)
