Structural Secrets of Multiferroic Interfaces

We present an experimental and theoretical study of the geometric structure of ultrathin BaTiO3 films grown on Fe(001). Surface x-ray diffraction reveals that the films are terminated by a BaO layer, while the TiO2 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.