These compounds are prototypes of the Fe-rich ternary systems of ThMn 12 structure which are of considerable current interest as permanent magnet materials. The electronic structure of YFe1 0V2 and YFe10Cr2 have been studied with photoemission and spin-polarized calculations. The Fe d states dominate the calculated density of states (DOS) near the Fermi energy and there is a good correspondence between the DOS and the experimental spectra. The calculated magnetization is in very good agreement with the experimental data. The calculations give a magnetic moment of ∼1 μB at the V or Cr site antiferromagnetically coupled to the Fe moments. This leads to a significant reduction in the average moment per Fe atom in these systems. The charge transfers are, in general, small and are mostly from V or Cr to Y atoms. These charges are used to show that the point-charge model alone cannot explain the crystal-field data.
ASJC Scopus subject areas
- General Physics and Astronomy