Enhancement of magnetocrystalline anisotropy in ferromagnetic Fe films by intra-atomic noncollinear magnetism

Kohji Nakamura*, Tomonori Ito, Arthur J Freeman, Lieping Zhong, Juan Fernandez-de-Castro

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

We generalize the full-potential linearized augmented plane-wave method with a single slab geometry in order to treat noncollinear magnetism with no shape approximation for the magnetization, and apply this scheme to investigate free-standing Fe(001) monolayers with lattice constants matching those of fcc Ag(001) and Cu(001) substrates. Intra-atomic noncollinear magnetism on a smaller length scale inside the atom is observed in the ferromagnetic state, and is found to enhance the magnetocrystalline anisotropy energy (by 17∼20%) compared to values determined for their collinear magnetic state.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number1
DOIs
StatePublished - Jan 1 2003

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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