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Magnetism and Crystal Field in PrCuAl₃ and NdCuAl₃

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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.
  • Institute of Physics ASCR, Cukrovarnická 10, 162 53 Praha 6, Czech Republic
  • Faculty of Mathematics and Physics, Charles University, DCMP, Ke Karlovu 5, 121 16 Praha 2, Czech Republic
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