Self-doped molecular Mott insulator for bilayer high-temperature superconducting La₃Ni₂O₇.

ABSTRACT: The bilayer structure of the recently discovered high-temperature superconducting nickelate La[Formula: see text]Ni[Formula: see text]O[Formula: see text] provides a new platform for investigating correlation and superconductivity. Starting from a bilayer Hubbard model, we show that there is a molecular Mott insulator limit formed by the bonding band owing to Hubbard interaction U and large inter-layer coupling. This molecular Mott insulator becomes self-doped due to electrons transferred to the anti-bonding bands at a weaker inter-layer coupling strength. The self-doped molecular Mott insulator is similar to the doped Mott insulator studied in cuprates. We propose La[Formula: see text]Ni[Formula: see text]O[Formula: see text] to be a self-doped molecular Mott insulator, whose molec

SUBMITTER: Wang Z 

PROVIDER: S-EPMC12512141 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature