The origin of perpendicular magneto-crystalline anisotropy in L1 0-FeNi under tetragonal distortion

Yoshio Miura, Sho Ozaki, Yasushi Kuwahara, Masahito Tsujikawa, Kazutaka Abe, Masafumi Shirai

研究成果: Article査読

75 被引用数 (Scopus)


We investigated the origin of perpendicular magneto-crystalline anisotropy (MCA) in L10-ordered FeNi alloy using first-principles density-functional calculations. We found that the perpendicular MCA of L1 0-FeNi arises predominantly from the constituent Fe atoms, which is consistent with recent measurements of the anisotropy of the Fe orbital magnetic moment of L10-FeNi by means of x-ray magnetic circular dichroism. Analysis of the second-order perturbation of the spin-orbit interaction indicates that spin-flip excitations between the occupied majority-spin and unoccupied minority-spin bands make a considerable contribution to the perpendicular MCA, as does the spin-conservation term for the minority-spin bands. Furthermore, the MCA energy increases as the in-plane lattice parameter decreases (increasing the axial ratio c/a). The increase in the MCA energy can be attributed to further enhancement of the spin-flip term due to modulation of the Fe d(xy) and d(x2 - y2) orbital components around the Fermi level under compressive in-plane distortion.

ジャーナルJournal of Physics Condensed Matter
出版ステータスPublished - 2013 3 13

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学


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