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arXiv:2312.08284 · Physical review. B./Physical review. B

Unconventional correlated metallic behavior due to interorbital Coulomb interaction

N. Aucar Boidi, A. P. Kampf, K. Hallberg

Published Feb 15, 2024• 1 citation
arXivHTMLPDF

Abstract

We study the nondegenerate one-dimensional two-orbital Hubbard model with an interorbital Coulomb interaction. By means of the density-matrix renormalization group technique, we calculate the local single-particle density of states and the optical conductivity at zero temperature. We find that a finite interorbital Coulomb repulsion $V$ generates a different class of states within the Mott-Hubbard band which has a large weight of holon-doublon pairs, which we hence call the holon-doublon band (HDB). When $V$ is sufficiently large, the HDB specifies the gapless low-energy excitations, and the system becomes an unconventional correlated metal. Optical conductivity results resolve different metallic behaviors for zero and finite interaction $V$. Compared to the case without an interorbital interaction, the conductivity is strongly reduced in the correlated holon-doublon metal for finite $V$. In addition, the absorption spectrum is dominated by the HDB, which is clearly distinguishable from the Mott-Hubbard band.

DOI
10.1103/physrevb.109.085122

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Low-energy excitations in correlated electron systems may show intricate behaviors and provide essential insights into the dynamics of quantum states and phase transitions. Here, we study a typical half-filled two-orbital Hubbard model featuring the so-called holon-doublon (HD) low-energy excitations in the orbital-selective Mott phase (OSMP), where the principal form of the low-energy excitations has been considered to be a HD bound state. We employ standard single-site dynamical mean-field theory (DMFT), using NORG as an improved impurity solver to calculate the spectral functions at zero temperature. We show that the HD bound state gives an incomplete or even wrong picture for the low-energy excitations. Instead, the excitations are composed of a Kondo-like state in the wide band and a doublon in the narrow band, termed as interband Kondo-like (IBK) bound states. Remarkably, we find that, as the bandwidths of the two bands approach each other, anomalous IBK bound-state excitations appear in the metallic wide band. Our study provides a new picture for the low-energy excitations in the OSMP.
The Mott transition in a multiorbital Hubbard model involving subbands of different widths is studied within the dynamical mean-field theory. Using the iterated perturbation theory for the quantum impurity problem it is shown that at low temperatures interorbital Coulomb interactions give rise to a single first-order transition rather than a sequence of orbital selective transitions. Impurity calculations based on the Quantum Monte Carlo method confirm this qualitative behavior. Nevertheless, at finite temperatures, the degree of metallic or insulating behavior of the subbands differs greatly. Thus, on the metallic side of the transition, the narrow band can exhibit quasi-insulating features, whereas on the insulating side the wide band exhibits pronounced bad-metal behavior. This complexity might partly explain contradictory results between several previous works.