Electronic structure and magnetic properties of Fe-rich ternary compounds: YFe₁₀V₂ and YFe₁₀Cr₂

Authors

Sitaram Jaswal, University of NebraskaFollow
Y.G. Ren, University of Nebraska - Lincoln
David J. Sellmyer, University of Nebraska-LincolnFollow

Document Type

Article

Date of this Version

May 1990

Comments

Published by American Institute of Physics. J. Applied Physics 67, 4564 (1990). © 1990 American Institute of Physics. Permission to use. http://jap.aip.org/jap/.

Abstract

These compounds are prototypes of the Fe-rich ternary systems of ThMn₁₂ structure which are of considerable current interest as permanent magnet materials. The electronic structure of YFe₁₀V₂ 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 µ_B 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. Journal of Applied Physics is copyrighted by The American Institute of Physics.