The origin of magnetism in transition metal-doped ZrO sub(2) thin films: experiment and theory

We have investigated the magnetic properties of Fe/Co/Ni-doped ZrO sub(2) laser ablated thin films in comparison with the known results of Mn-doped ZrO sub(2), which is thought to be a promising material for spintronics applications. It is found that doping with a transition metal can induce room temperature ferromagnetism in 'fake' diamond. Theoretical analysis based on density functional theory confirms the experimental measurements, by revealing that the magnetic moments of Mn- and Ni-doped ZrO sub(2) thin films are much larger than that of Fe- or Co-doped ZrO sub(2) thin films. Most importantly, our calculations confirm that Mn- and Ni-doped ZrO sub(2) show a ferromagnetic ground state in comparison to Co- and Fe-doped ZrO sub(2), which favor an antiferromagnetic ground state.