  Based on recent advances in first-principles theory, we develop a general
model of the band offset at metal/ferroelectric interfaces. We show that,
depending on the polarization of the film, a pathological regime might occur
where the metallic carriers populate the energy bands of the insulator, making
it metallic. As the most common approximations of density functional theory are
affected by a systematic underestimation of the fundamental band gap of
insulators, this scenario is likely to be an artifact of the simulation. We
provide a number of rigorous criteria, together with extensive practical
examples, to systematically identify this problematic situation in the
calculated electronic and structural properties of ferroelectric systems. We
discuss our findings in the context of earlier literature studies, where the
issues described in this work have often been overlooked. We also discuss
formal analogies to the physics of polarity compensation at LaAlO3/SrTiO3
interfaces, and suggest promising avenues for future research.
