First-principles description of ferroelectric/electrode interfaces and properties of not very thin ferroelectric capacitors

We formulate an approach to the size effect problem in ferroelectric-electrode systems where
ab initio
calculations are combined with a phenomenological framework. The parameters of the model can be extracted from the calculations, while experimentally verifiable predictions can be made on thick films. We illustrate this approach by applying it to SrRuO
₃
/BaTiO
₃
/SrRuO
₃
heterostructures with different terminations of the metal-oxide electrodes.