First Principle Calculation of the Magnetocrystalline Anisotropy Energy of FePt and CoPt Ordered Alloys

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Abstract

The spin-polarized band calculations including spin-orbit interaction for Ll0-FePt and CoPt ordered alloys have been performed with LMTO-ASA method in the frame of local spin density functional approximation. It has been shown that strong uniaxial magnetic anisotropy of both alloys is brought about by a large spin-orbit coupling of Pt atom and a strong hybridization of Pt d bands with highly polarized Fe (Co) d bands. The obtained magnetocrystalline anisotropy energy (MAE) is about 16 x 106 J/m3 for FePt and 9 x 106 J/m3 for CoPt. It is also found that both MAE's have a trend of increase with increasing axial ratio c/a in the vicinity of measured c/a. This can be regarded as being associated with the behavior that the MAE's decrease with increasing band filling.

Original languageEnglish
Pages (from-to)3053-3058
Number of pages6
Journaljournal of the physical society of japan
Volume63
Issue number8
DOIs
Publication statusPublished - 1994 Jan 1
Externally publishedYes

Keywords

  • CoPt
  • FePt
  • LSD functional approximation
  • electronic structure
  • magnetic moment
  • magnetocrystalline anisotropy energy
  • the LMTO method

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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