Ferromagnetic half-metallic characteristic in bulk Ni 0.5M 0.5O (M=Cu, Zn and Cd): A GGAU study

Wenbo Mi, Hua Yang, Yingchun Cheng, Haili Bai

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

Ferromagnetic half metallicity with a high spin polarization of 100% was predicted in the bulk Ni 0.5Cu 0.5O using density-functional theory method. The band gap of majority spin is 3.45 eV for Ni 0.5Cu 0.5O. The density of states of minority spin at the Fermi level are mainly from Cu 3d and O 2p in the Ni 0.5Cu 0.5O. The magnetic moments are from Ni 3d states. Ni 0.5Zn 0.5O and Ni 0.5Cd 0.5O systems are ferromagnetic insulators, but the magnetic moment of Ni 2 ions is enhanced by the Zn and Cd incorporation. Therefore, Ni 0.5Cu 0.5O is the potential candidate for spintronics devices because of the predicted high spin polarization. © 2012 Elsevier Ltd. All rights reserved.
Original languageEnglish (US)
Pages (from-to)1108-1111
Number of pages4
JournalSolid State Communications
Volume152
Issue number13
DOIs
StatePublished - Jul 2012

ASJC Scopus subject areas

  • Materials Chemistry
  • Chemistry(all)
  • Condensed Matter Physics

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