First-principles calculation of the magnetocrystalline anisotropy energy of the pnictide MnSb

  • N. Vast
  • , B. Siberchicot
  • , P. G. Zerah

Research output: Contribution to journalArticlepeer-review

Abstract

The magnetocrystalline anisotropy energy (MAE) of the pnictide MnSb is investigated by means of the augmented spherical wave method. The spin-orbit coupling enters the variational step of the procedure and the force theorem is applied to determine the dependence of the MAE on the directions of magnetization. The authors numerical results agree well with the first-order development of anisotropy energy in uniaxial crystal structures. The easy axis of magnetization is then found to be in the basal plane of the hexagonal structure in agreement with experiment, and the first-order anisotropy constant is given.

Original languageEnglish
Article number035
Pages (from-to)10469-10478
Number of pages10
JournalJournal of Physics: Condensed Matter
Volume4
Issue number50
DOIs
Publication statusPublished - 1 Dec 1992
Externally publishedYes

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