Electronic structure and ferromagnetic-antiferromagnetic transition in cubic perovskite-type compound mn3gac

Masafumi Shirai, Yoshifumi Ōhata, Naoshi Suzuki, Kazuko Motizuki

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)

Abstract

First-principles band structure calculations are performed by using a self-consistent linearized augmented-plane-wave (LAPW) method for the non-magnetic, ferromagnetic (FM) and antiferromagnetic (AFM) states of Mn3GaC, in orderto provide the basis for understanding the origin of the FM-AFM transition of Mn3GaC. Total energies for both the FMand AFM states are calculated as a function of the unit cell volume and compared with each other. The stability of thesemagnetic ordered phases is discussed and pressure effects on magnetic properties are predicted.

Original languageEnglish
Pages (from-to)250-252
Number of pages3
JournalJapanese journal of applied physics
Volume32
Issue numberS3
DOIs
Publication statusPublished - 1993 Jan
Externally publishedYes

Keywords

  • Electronic band structure
  • Ferromagnetic-antiferromagnetic transition
  • LAPW method
  • MnGaC
  • Perovskite
  • Total energy

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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