Magnetism and Crystal Field in PrCuAl₃ and NdCuAl₃

• Authors: P. Novák , M. Diviš
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

71.15.Mb; 71.20.Lp; 71.70.Ch

Discipline

• 71.70.Ch: Crystal and ligand fields
• 71.20.Lp: Intermetallic compounds
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2017
• Volume: 131
• Issue: 4
• Pages: 964-966

Dates

published

2017-04

Contributors

author

P. Novák

• Institute of Physics ASCR, Cukrovarnická 10, 162 53 Praha 6, Czech Republic

author

M. Diviš

• Faculty of Mathematics and Physics, Charles University, DCMP, Ke Karlovu 5, 121 16 Praha 2, Czech Republic

References

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Identifiers

DOI

10.12693/APhysPolA.131.964