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

Abstract 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.