The interplay of work function and polarization state at the Schottky barriers height for Cu/BaTiO3 interface

The emerging field of electronics based on ferro-functional materials relies on driving effectively and predictably a ferroelectric system between different polarization states through bias applied to metallic contacts. This requires detailed understanding of the growth mechanisms and electronic properties of the interface, including ferroelectric and material - dependent band alignment and Schottky barrier heights. Whether the major contribution at the interface band alignment comes from the work function difference or from the ferroelectric state is still under debate. Here, using X-ray photoemsion and ab-initio calculations, we derive the complex microscopic picture of metal/ferroelectric interface formation, including growth mechanism, valence alteration, ferroelectric-dependent electrostatic potential and thickness - dependent compensation mechanisms of ferroelectricity, starting from the ultrathin growth of Cu up to 100 angstrom on BaTiO3. One establishes the evolution of the band bending and of the build-in potential from the initial probed thickness of the ferroelectric in the range of 3 lambda (lambda - the inelastic mean free path) while gradually approaching the contact region with the metal at higher thickness of the top layer. We find that the well-defined orientation of the ferroelectric polarization lead to a band bending at the interface, which add at the bending expected from the work function difference of the two joining materials.