Localized in-gap state in a single-electron doped Mott insulator

Abstract

Motivated by the recent atomic-scale scanning tunneling microscope (STM) observation for a spatially localized in-gap state in an electron doped Mott insulator, we evaluate the local electronic state of the Hubbard model on the square lattice using the cluster perturbation theory. An in-gap state is found to exist below the upper Hubbard band around the dopant lattice site, which is consistent with the STM measurements. The emergence of this local in-gap state is accompanied with a rapid reduction of the double occupancy of electrons. A similar in-gap state is also found to exist on the triangular lattice. These results suggest that the in-gap state is an inherent feature of Mott insulators independent of the lattice structure.