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Near or less than 10% Nb substitution on the Ti site in perovskite SrTiO$_3$ results in metallic behavior, in contrast to what is seen in BaTiO$_3$. Given the nearly identical structure and electron counts of the two materials, the distinct ground states for low substitution have been a long-standing puzzle. Here we find from neutron studies of average and local structure, the subtle yet critical difference that we believe underpins the distinct electronic properties in these fascinating materials. While SrTi$_{0.875}$Nb_${0.125}$O$_3$ possesses a distorted non-cubic structure at 15 K, the BO$_6$ octahedra in the structure are regular. BaTi$_{0.875}$Nb$_{0.125}$O$_3$ on the other hand shows evidence for local cation off-centering whilst retaining a cubic structure.
Depositing disordered Al on top of SrTiO$_3$ is a cheap and easy way to create a two-dimensional electron system in the SrTiO$_3$ surface layers. To facilitate future device applications we passivate the heterostructure by a disordered LaAlO$_3$ capp
Motivated by the puzzling report of the observation of a ferromagnetic insulating state in LaMnO$_3$/SrTiO$_3$ heterostructures, we calculate the electronic and magnetic state of LaMnO$_3$, coherently matched to a SrTiO$_3$ square substrate within a
We study the underlying chemical, electronic and magnetic properties of a number of magnetite based thin films. The main focus is placed onto NiO/Fe$_3$O$_4$(001) bilayers grown on MgO(001) and Nb-SrTiO$_3$(001) substrates. We compare the results wit
Despite similar chemical compositions, LiOsO$_3$ and NaOsO$_3$ exhibit remarkably distinct structural, electronic, magnetic, and spectroscopic properties. At low temperature, LiOsO$_3$ is a polar bad metal with a rhombohedral $R3c$ structure without
First principles study of structural, elastic, and electronic properties of the cubic perovskitetype BaHfO$_3$ has been performed using the plane wave ultrasoft pseudo-potential method based on density functional theory with revised Perdew-Burke-Ernz