四方晶系下钕离子的基态分裂

Ground States’ Splittings of Nd^(3+) in Tetragonal Crystal System

采用点电荷晶场模型,通过模拟四方晶系化合物NdCuAs2和Nd2Ge2In的磁化率倒数-温度曲线,得到了Nd3+的各级分裂能和相应波函数,并分析了晶场效应对化合物磁性质的影响.结果表明,Kramers离子Nd3+的十重简并基态4I9/2在晶场效应的作用下分裂为5个双态,计算结果与实验吻合得较好.

The splitting energy at different levels and their corresponding wave functions for Nd^3＋ in NdCuAs2 and Nd2Ge2In （compounds of tetragonal crystal system） had been obtained by means of adopting simple point-charge crystal field model and simulating the curve of temperature dependence of the magnetic susceptibility＇s reciprocal. Then the influence of crystalline electric field （CEF） effect on compound＇s magnetic properties had been analyzed. Results showed that the ten-fold degenerate ground state 419/2 of Nd^3＋ （Kramers ion） had been transformed into five doublet states with the influence of CEF. The CEF analysis suggests that the calculated results were in good agreement with the experimental data.