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Article
Effects of chemical and magnetic disorder in Fe0.50Mn0.50
Journal of Applied Physics (1988)
  • Duane D. Johnson
  • F. J. Pinski, University of Cincinnati
  • G. M. Stocks, Oak Ridge National Laboratory
Abstract
We present the results of first‐principles calculations of the total energy and spin‐polarized electronic structure of disordered fcc Fe0.50Mn0.50. These self‐consistent calculations were performed using the Korringa–Kohn–Rostoker method and the coherent‐potential approximation (KKR‐CPA), using the local‐spin‐density approximation to treat exchange and correlation. We use a lattice constant of a=6.80 a.u.; information about stability can be inferred from calculated pressure and energy. The moments on the Fe and Mn sites are large but antiparallel to each other, resulting in a small net magnetization. A comparison of the electronic structure is made for fcc Fe, Mn, and FeMn in both the ferromagnetic and disordered local moment states.
Keywords
  • Electronic structure,
  • Exchange correlation functionals,
  • Ferromagnetism,
  • Lattice constants,
  • Total energy calculations
Publication Date
1988
Publisher Statement
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Citation Information
Duane D. Johnson, F. J. Pinski and G. M. Stocks. "Effects of chemical and magnetic disorder in Fe0.50Mn0.50" Journal of Applied Physics Vol. 63 Iss. 8 (1988)
Available at: http://works.bepress.com/duane_johnson/95/