Grain-boundary segregation of magnesium in doped cuprous oxide and impact on electrical transport properties

In this study, we report the segregation of magnesium in the grain boundaries of magnesium-doped cuprous oxide (Cu(2)O:Mg) thin films as revealed by atom probe tomography and the consequences of the dopant presence on the temperature-dependent Hall effect properties. The incorporation of magnesium as a divalent cation was achieved by aerosol-assisted metal organic chemical vapour deposition, followed by thermal treatments under oxidizing conditions. We observe that, in comparison with intrinsic cuprous oxide, the electronic transport is improved in Cu(2)O:Mg with a reduction of resistivity to 13.3 ± 0.1 Ω cm, despite the reduction of hole mobility in the doped films, due to higher grain-boundary scattering. The Hall carrier concentration dependence with temperature showed the presence of an acceptor level associated with an ionization energy of 125 ± 9 meV, similar to the energy value of a large size impurity−vacancy complex. Atom probe tomography shows a magnesium incorporation of 5%, which is substantially present at the grain boundaries of the Cu(2)O.