In this study we explore, both from theoretical and experimental side, the
effect of Fe doping in ZrO2 (ZrO2:Fe). By means of first principles simulation
we study the magnetization density and the magnetic interaction between Fe
atoms. We also consider how this is affected by the presence of oxygen
vacancies and compare our findings with models based on impurity band and
carrier mediated magnetic interaction. Experimentally thin films (~ 20 nm) of
ZrO2:Fe at high doping concentration are grown by atomic layer deposition. We
provide experimental evidence that Fe is uniformly distributed in the ZrO2 by
transmission electron microscopy and energy dispersive X-ray mapping, while
X-ray diffraction evidences the presence of the fluorite crystal structure.
Alternating gradient force magnetometer measurements show magnetic signal at
room temperature, however with low magnetic moment per atom. Results from
experimental measures and theoretical simulations are compared.Comment: 8 pages, 9 figures. JEMS 201
