Ce_5Ni_2Si_3 CeNiGe_3和Ce_2NiGe_3晶场分裂能的理论计算

THEORETICAL CALCULATION OF CRYSTALLINE ELECTRIC FIELD SPLITTING LEVELS FOR Ce_5Ni_2Si_3、CeNiGe_3 and Ce_2NiGe_3

通过模拟Mari偄n Mihalik、Piku和Huo测量的Ce5Ni2Si3、CeNiGe3和Ce2NiGe3的磁化率倒数-温度曲线来计算稀土化合物的晶场系数、分裂能和相应波函数,并从理论上分析了晶场效应为Ce3+基态的影响.本文的计算值与Mari偄n Mihalik、Piku和Huo分别通过模拟Schottky比热得到的值获得了较好的吻合.

We obtain the crystalline electric fiedl（CEF）parameters, CEF Splitting levels and the corresponding wave functions of rare earth compound Ce5Ni2Si3, CeNiGe3 and CeaNiGe3 by means of simulating the inverse magnetic susceptibility measured by Marian Mihalik, Piku and Huo, respectively. Furthermore, we analyse the influence of CEF effect on the ground states of Ce^3＋ based on the CEF schemes. The first excited and the total excited energies calculated by simulating the inverse magnetic susceptibility are in good agreement with the data through fitting the Schottky contribution by Marian Mihalik, Piku and Huo, respectively.