We present an experimental and theoretical study of the geometric structure of ultrathin BaTiO(3) films grown on Fe(001). Surface x-ray diffraction reveals that the films are terminated by a BaO layer, while the TiO(2) layer is next to the top Fe layer. Cations in termination layers have incomplete oxygen shells inducing strong vertical relaxations. Onset of polarization is observed at a minimum thickness of two unit cells. Our findings are supported by first-principles calculations providing a quantitative insight into the multiferroic properties on the atomic scale.

Using surface x-ray diffraction in combination with ab initio calculations, we demonstrate that the atomic structure of ultrathin BaTiO3 (BTO) films grown on Me(001) surfaces (Me=Fe, Pd, Pt) depends on subtle modifications of the interface chemical composition. A complete reversal of the surface termination from a BaO- [BTO on Fe(001)] to a TiO2-terminated film [BTO on Pt(001)] is observed which goes in parallel with the adsorption of submonolayer amounts of oxygen at metal hollow sites of the interface. Our results may suggest a new route to an overall control of both the surface and the interface geometry in BaTiO3/metal contacts.

A study on the structural and magnetic properties of 5-nm-thick Co-Pt alloy films grown on thermally oxidized SiO 2 /Si͑100͒ substrates as well as on self-assemblies of spherical SiO 2 particles with sizes down to 10 nm is presented. An out-of-plane easy axis of magnetization was stabilized at deposition temperatures as low as 250 °C in a broad composition range between 40 and 70 at. %of Pt. Owing to the low deposition temperatures, no chemical long-range order is found. Thus, the strong outof-plane magnetic anisotropy is expected to be caused by anisotropic short-range order effects. The magnetic behavior of CoPt alloys with an equiatomic composition grown on arrays of SiO 2 particles was found to be similar to those on planar substrates. Structural investigations using high-resolution transmission electron microscopy revealed that a continuous CoPt layer has been formed, covering the particle tops and connecting them. The magnetic CoPt caps exhibit an out-of-plane easy axis for all particle sizes; however, no pronounced difference in coercive field with particle size was observed, which is associated with the specific morphology of the film structure.

Using surface x-ray diffraction and ab initio calculations we present a model of the BaTiO3(001)-(2×1) surface structure, which has not been considered so far. While the crystal is terminated by two TiO2 layers similarly to SrTiO3(001)-(2×1), we find that one out of two surface layer Ti-atoms resides in a tetragonal pyramidal oxygen environment. This peculiar geometry leads to a metallic and magnetic surface involving local magnetic moments up to 2μ(B) in magnitude located at surface Ti and O atoms. Our results are important for the understanding of the intrinsic surface metallicity of insulating oxides in general.

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