Theoretical description of carrier mediated magnetism cin cobalt doped ZnO

Aron Walsh, Juarez L.F. Da Silva, Su Huai Wei

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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 t2d 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
JournalPhysical Review Letters
Issue number25
StatePublished - 23 Jun 2008


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