Modulation effects of Cu doping on magnetic properties of Zn(Ni)O: First-principle calculations

Based on the density functional theory, we explore the electronic and magnetic properties of (Ni,Cu)-codoped ZnO systems (Zn(Ni,Cu)O). It is shown that dopant Cu has a long-range modulation for the Ni-Ni ferromagnetic coupling and enhances the stability of ferromagnetism. Furthermore, we demonstrate that the path of Cu modulation is through the Cu-Ni magnetic interaction. - Highlights: → The electronic and magnetic properties of (Ni,Cu)-codoped ZnO are explored theoretically. → Dopant Cu induces a long-range modulation for the Ni-Ni coupling. → The modulation path is through the Cu-Ni magnetic interaction. → The ferromagnetism stability is enhanced by Cu doping.