稀土化合物RE_2Ge_2In(RE=Ce,Pr,Nd)的磁性和晶场效应

Magnetism and Crystalline Electric Field Effect of Rare Earth Compound RE_2Ge_2In(RE=Ce,Pr,Nd)

基于晶场理论和分子场理论,采用点电荷晶场模型,通过模拟Zaremba小组的磁化率实验结果,得到了稀土化合物RE2Ge2In(RE=Ce,Pr,Nd)的晶场分裂能和相应波函数。计算表明,Kramer离子Ce3+和Nd3+在晶场效应的作用下简并部分消除得到了双基态,而非Kramer离子Pr3+分裂后得到了单基态。计算得到的Ce2Ge2In的第一激发能和总分裂能与Adroja小组中子散射实验结果吻合较好。

By means of simulating the temperature dependence of inverse magnetic susceptibility measured by Zaremba group on the bases of crystalline electric field （CEF） and molecular field theories with a simple point-charge CEF model, we obtain CEF splitting levels and corresponding wave functions for REEGe2In （RE=Ce, Pr, Nd）. The CEF analysis shows that Kramer ions Ce^3＋ and Nd^3＋ have a doublet ground state while non Kramer ion Pr^3＋ has a singlet ground state. The calculated first and the total excited splitting energies of Ce2Ge2In is in better accordance with neutron scattering experiment of Adroja group.