Magnetism in Body-Centered Tetragonal FeRh1−xPdx Alloys (II) Band Structure

Akimasa Sakuma, Shinji Yuasa, Hideki Miyajima, Yoshichika Otani

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

First-principle spin-polarized band calculations were performed for the body-centered tetragonal FeRh1−xPdx alloys with x=0, 0.5 and 1 as a function of the axial ratio c/a using the LMTO method. The energetically competing ferromagnetic and antiferromagnetic states were found to exist in bcc FeRh and bct FeRh0.5Pd0.5, as experimentally expected. The substitution of Pd for Rh hardly changes the shape of the density of states but simply raises the Fermi level when the axial ratio is fixed at a constant value. The tetragonal lattice elongation removes the degeneracy of the Fe d-band, and a large peak of DOS in the minority spin band for the bcc structure splits into two peaks for the bct structure, resulting in a reduction of the Fe magnetic moment. The large tetragonal elongation in the FeRh1−xPdx system is induced by the band Jahn-Teller effect.

Original languageEnglish
Pages (from-to)4914-4922
Number of pages9
Journaljournal of the physical society of japan
Volume64
Issue number12
DOIs
Publication statusPublished - 1995 Jan 1
Externally publishedYes

Keywords

  • FeRhPd
  • LMTO method
  • band Jahn-Teller effect
  • body-centered tetragonal structure
  • electronic structure
  • tetragonal elongation effect

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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