Calculations of the crystalhyphen;field splitting of the low lying sextet multiplets of thef5andf9configurations in a field ofC3hsymmetry have been performed and the results are compared to experimental data on Sm3+and Dy3+in LaCl3. The effect of inclusion of terms coupling different free ionJmanifolds is examined, and several interesting features which arise from this effect are discussed. For Sm3+39 observed crystalhyphen;field levels are reproduced with a standard deviation of plusmn;3.2 cmmdash;1with the crystalhyphen;field parametersB20=A20lang;r2rang; = 80.85 cmmdash;1,B40= mdash;22.75 cmmdash;1,B60= mdash;44.39 cmmdash;1, andB66= 425.7 cmmdash;1. For Dy3+39 observed levels are reproduced with a standard deviation of plusmn;2.7 cmmdash;1with the parametersB20= 91.30 cmmdash;1,B40= mdash;38.97 cmmdash;1,B60= mdash;23.17 cmmdash;1, andB66= 257.8 cmmdash;1. The remaining small discrepancies between calculated and observed levels can probably be attributed to inadequate freehyphen;ion wave functions.
展开▼
