Materials design of Cr-based half-metallic ferromagnets

M. Shirai, K. Ikeuchi, H. Taguchi, H. Akinaga

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Electronic band-structure of zinc-blende (zb) chromium monopnictides, CrP, CrAs, and CrSb, as well as chalcopyrite-type CrGeP2 is studied comparatively by using first-principles density-functional calculations. It is found that the ferromagnetic state is energetically favorable for all these materials. Both zb-CrAs and CrSb are predicted to be half-metallic, while the spin-polarization at the Fermi-level is quite small for zb-CrP and CrGeP 2. Highly spin-polarized electronic band-structures in zb-CrAs and CrSb are almost unaffected, even if the spin-orbit interaction is taken into account.

Original languageEnglish
Pages (from-to)27-30
Number of pages4
JournalJournal of Superconductivity and Novel Magnetism
Volume16
Issue number1
Publication statusPublished - 2003 Dec 1

Keywords

  • Chalcopyrite-type CrGeP
  • First-principles calculation
  • Half-metallic ferromagnet
  • Spin-orbit interaction
  • Zinc-blende Cr monopnictide

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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