Theoretical description of carrier mediated magnetism in cobalt doped ZnO

Aron Walsh, J L F Da Silva, S-H Wei

Research output: Contribution to journalArticlepeer-review

249 Citations (Scopus)

Abstract

Substitutional cobalt in ZnO has a weak preference for antiferromagnetic ordering. Stabilization of ferromagnetism is achieved through n-type doping, which can be understood through a band coupling model. However, the description of the transition to a ferromagnetic ground state varies within different levels of band theory; issues arise due to the density functional theory underestimation of the band gap of ZnO, and the relative position of the nominally unfilled Co t(2d) states. We examine these limitations, including approaches to overcome them, and explain the contradictions in previous studies, which drastically overestimate the doping threshold for magnetic ordering.
Original languageEnglish
Article number256401
Number of pages4
JournalPhysical Review Letters
Volume100
Issue number25
DOIs
Publication statusPublished - 23 Jun 2008

Keywords

  • mn
  • ferromagnetism
  • semiconductor spintronics
  • model
  • origins
  • electronic-structure

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