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

Research output: Contribution to journalArticlepeer-review

80 Citations (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.

Original languageEnglish
Article number106005
JournalJournal of Physics Condensed Matter
Issue number10
Publication statusPublished - 2013 Mar 13

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics


Dive into the research topics of 'The origin of perpendicular magneto-crystalline anisotropy in L1 0-FeNi under tetragonal distortion'. Together they form a unique fingerprint.

Cite this