Emerging two-dimensional conductivity at Mott-band insulator interface
arxiv(2024)
摘要
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 LaTiO_3 Mott- and large band gap KTaO_3
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 wide band insulators. Here the key
factor causing conductivity is the matching of oxygen octahedra tilting in
KTaO_3 and LaTiO_3 which, due to a small gap in the LaTiO_3 results
in its sensitivity to the crystal structure, yields metalization 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 LaTiO_3/KTaO_3 (110) where the ”polar“
arguments are not applicable and on the emergence of superconductivity in these
structures.
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