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

Ruqian Wu, Arthur J Freeman

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)


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
Pages (from-to)89-93
Number of pages5
JournalJournal of Magnetism and Magnetic Materials
Publication statusPublished - Aug 1996


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

ASJC Scopus subject areas

  • Condensed Matter Physics

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