Magnetic anisotropy in small clusters FePt, Fe2Pt, and FePt 2: From a first-principles study

Tatsuki Oda, Yasuhiro Yokoo, Hirofumi Sakashita, Masahito Tsujikawa

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


We have studied magnetic anisotropy in FePt, FePt2, and Fe 2Pt clusters, employing a fully relativistic pseudo potential and plane wave method with the local spin density approximation. We found the stable clusters, linear and triangular ones, for both trimers. We estimated magnetic anisotropy energy from the difference of total energies, indicating that the dimer has the magnetization easy axis along the molecular axis and the linear trimers has the magnetization easy plane perpendicular to the molecular axis. We also estimated spin and orbital magnetic moments on each atom for some typical magnetization directions. In the triangle Fe2Pt, the orbital magnetic moment on each Fe atom showed a non-collinearity against the spin moment as the ground state.

Original languageEnglish
Pages (from-to)2603-2607
Number of pages5
JournalJournal of Computational and Theoretical Nanoscience
Issue number12
Publication statusPublished - 2009 Dec
Externally publishedYes


  • Local spin density approximation
  • Magnetic anisotropy
  • Non-collinear magnetism
  • Orbital magnetic moment
  • Relativistic pseudo potential
  • Spin-orbit coupling

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering


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