Role of multilayer relaxation on the magnetic coupling of bilayer Mn on Fe(001)

Ruqian Wu*, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


Interfacial magnetic coupling in a bilayer of Mn on Fe(001) has been determined using the all-electron local density full potential linearized augmented plane wave method. Strikingly, the magnetic properties are very sensitive to the atomic structure, namely, the multilayer relaxation and the lattice constant in the lateral plane. The magnetic moment of the surface Mn appears to favor an antiferromagnetic coupling with the underlying Fe substrate, which explains some unusual experimental results. Since magnetic moments in the two Mn layers are very different (-2.76 μB for Mn(S) versus 1.09 μB for Mn(I)), a detectable net X-ray magnetic circular dichroism (MCD) signal is predicted for the antiferromagnetic Mn bilayer.

Original languageEnglish (US)
Pages (from-to)89-93
Number of pages5
JournalJournal of Magnetism and Magnetic Materials
StatePublished - Aug 1996


  • MCD spectrum
  • Magnetic moment
  • Magnetic ordering
  • Surface multilayer relaxation

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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