Emerging Two-Dimensional Conductivity at the Interface between Mott and Band Insulators

Intriguingly, conducting perovskite interfaces between ordinary band insulators are widely explored, whereas similar interfaces with Mott insulators are still not quite understood. Here, we address the (001), (110), and (111) interfaces between the LaTiO₃ Mott, and large band gap KTaO₃ insulators. Based on first-principles calculations, we reveal a mechanism of interfacial conductivity, which is distinct from a formerly studied one applicable to interfaces between polar wideband insulators. Here, the key factor causing conductivity is the matching of oxygen octahedra tilting in KTaO₃ and LaTiO₃ which, due to a small gap in the LaTiO₃ results in its sensitivity to the crystal structure, yields metallization of its overlayer and following charge transfer from Ti to Ta. Our findings, also applicable to other Mott insulators interfaces, shed light on the emergence of conductivity observed in LaTiO₃/KTaO₃ (110) where the "polar" arguments are not applicable and on the emergence of superconductivity in these structures.