Structural, electronic and magnetic properties of NiAl and FeAl alloys

B. I. Min*, T. Oguchi, H. J.F. Jansen, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

Abstract

Local density total energy and electronic structure calculations for NiAl, Ni3Al, FeAl and Fe3Al yield lattice constants which agree well with experiment. We find for Ni3Al the Cu3Au structure, and for Fe3Al the DO3 structure as their ground states, NiAl is paramagnetic, Fe3Al ferromagnetic, and Ni3Al and FeAl show weak itinerant magnetic phases.

Original languageEnglish (US)
Pages (from-to)1091-1092
Number of pages2
JournalJournal of Magnetism and Magnetic Materials
Volume54-57
Issue numberPART 2
DOIs
StatePublished - Feb 1986

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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