Magnetism and Crystal Field in PrCuAl3 and NdCuAl3
P. Nováka and M. Diviš b
aInstitute of Physics ASCR, Cukrovarnická 10, 162 53 Praha 6, Czech Republic
bFaculty of Mathematics and Physics, Charles University, DCMP, Ke Karlovu 5, 121 16 Praha 2, Czech Republic
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During the last five years we developed method to calculate crystal field and magnetism of rare-earth ions in solids. The method is fully ab initio with the exception of a single parameter which adjust the position of f states relative to other valence states and it was successfully applied in insulating systems. In this contribution the method is used to explain multiplet splitting and magnetism in PrCuAl3 and NdCuAl3 intermetallics. For the Nd compound the agreement between theory and experiment is good, while for the PrCuAl3 the agreement is less satisfactory which can be due to the more delocalized 4f electrons of Pr3+ comparing to Nd3+ ion.

DOI: 10.12693/APhysPolA.131.964
PACS numbers: 71.15.Mb, 71.20.Lp, 71.70.Ch