First-principles calculation of the magnetic anisotropy energies of iron-based metallic multilayers

Kentaro Kyuno, Ryoichi Yamamoto, Setsuro Asano

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


The magnetocrystalline anisotropy energies of X/Fe (X=Pd, Pt, Au, Ag) multilayers have been calculated from first principles within the local-spin-density approximation using the linear muffin-tin orbital (LMTO) method, including spin-orbit coupling. Although the calculated magnetostatic energies favour in-plane magnetization directions, the easy axes of Pd(2ML)/Fe(1ML), Au(2ML)/Fe(1ML) and Ag(2ML)/Fe(1ML) (ML: monolayer) multilayers are perpendicular to the film plane, because of the large electronic contribution to the perpendicular anisotropy. The calculated anisotropy energies of Pd/Fe multilayers decrease with increasing Fe layer thickness, which is in good agreement with experiment.

Original languageEnglish
Pages (from-to)133-142
Number of pages10
JournalModelling and Simulation in Materials Science and Engineering
Issue number2
Publication statusPublished - 1993 Jan
Externally publishedYes

ASJC Scopus subject areas

  • Modelling and Simulation
  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications


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