In-gap band in the one-dimensional two-orbital Kanamori-Hubbard model with interorbital Coulomb interaction

• Published in: Physical review research 2021-12, Vol.3 (4), p.043213, Article 043213
• Main Authors: Aucar Boidi, N., Fernández García, H., Núñez-Fernández, Y., Hallberg, K.
• Format: Article
• Language: English
• Subjects: Engineering Sciences; Physics
• ISSN: 2643-1564; 2643-1564
• DOI: 10.1103/PhysRevResearch.3.043213

We study the electronic spectral properties at zero temperature of the one-dimensional (1D) version of the degenerate two-orbital Kanamori-Hubbard model, one of the well-established frameworks to study transition metal compounds, using state-of-the-art numerical techniques based on the density matrix renormalization group. While the system is Mott insulating for the half-filled case, as expected for an interacting 1D system, we find interesting and rich structures in the single-particle density of states (DOS) for the hole-doped system. In particular, we find the existence of in-gap states which are pulled down to lower energies from the upper Hubbard band with increasing the interorbital Coulomb interaction V. We analyze the composition of the DOS by projecting it onto different local excitations, and we observe that for large dopings these in-gap excitations are formed mainly by interorbital holon-doublon (HD) states and their energies follow approximately the HD states in the atomic limit. We observe that the Hund interaction J increases the width of the in-gap band, as expected from the two-particle fluctuations in the Hamiltonian. The observation of a finite density of states within the gap between the Hubbard bands for this extended 1D model indicates that these systems present a rich excitation spectra which could help us understand the microscopic physics behind multiorbital compounds.