Intrinsic properties of Fe-substituted L10 magnets

P. Manchanda, Pankaj Kumar, A. Kashyap, M. J. Lucis, J. E. Shield, A. Mubarok, J. I. Goldstein, S. Constantinides, K. Barmak, L. H. Lewis, D. J. Sellmyer, R. Skomski

Research output: Contribution to journalArticlepeer-review

23 Scopus citations


First-principle supercell calculations are used to determine how 3d elemental additions, especially Fe additions, modify the magnetization, exchange and anisotropy of L10-ordered ferromagnets. Calculations are performed using the VASP code and partially involve configurational averaging over site disorder. Three isostructural systems are investigated: Fe-Co-Pt, Mn-Al-Fe, and transition metal-doped Fe-Ni. In all three systems the iron strongly influences the magnetic properties of these compounds, but the specific effect depends on the host. In CoPt(Fe) iron enhances the magnetization, with subtle changes in the magnetic moments that depend on the distribution of the Fe and Co atoms. The addition of Fe to MnAl is detrimental to the magnetization, because it creates antiferromagnetic exchange interactions, but it enhances the magnetic anisotropy. The replacement of 50% of Mn by Fe in MnFeAl2 enhances the anisotropy from 1.77 to 2.5 MJ/m3. Further, the substitution of light 3d elements such as Ti, V, Cr into L10-ordered FeNi is shown to substantially reduce the magnetization.

Original languageEnglish (US)
Article number6514100
Pages (from-to)5194-5198
Number of pages5
JournalIEEE Transactions on Magnetics
Issue number10
StatePublished - 2013


  • Density-functional theory
  • magnetic alloys
  • magnetic moment
  • permanent magnets

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering


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