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Keywords:

  • density functional theory;
  • FePt;
  • nanoparticles;
  • magnetic recording;
  • orbital magnetism

Owed to the large magneto-crystalline anisotropy (MCA) of the bulk FePt alloys, nanostructures with a few nm in diameter are considered for ultra-high density recording applications. First principles calculations in the framework of density functional theory (DFT) permit insight into the close interrelation between particle composition, morphology, and magnetism with access to the electronic level. The present survey will systematically highlight the impact of an additional encapsulation with Cu, Au, Al, and further main group elements on spin- and orbital magnetism and MCA with special emphasis on the role of the interface. pssa201329048-gra-0001

Site resolved orbital moment anisotropy (OMA) of an uncovered 147 atom FePt nanoparticle.