Spectroscopy of Hubbard-Mott excitons and their ro-vibrational excitations

TL;DR

This paper investigates Hubbard excitons and their ro-vibrational excitations, comparing theoretical models, numerical simulations, and experimental RIXS data to understand pairing mechanisms in cuprates.

Contribution

It introduces a detailed comparison between Hubbard excitons and dopant pairs, linking theoretical spectra with experimental RIXS results in cuprates.

Findings

Remarkable agreement between excitonic spectra and dopant pairs.

Identification of long-lived ro-vibrational exciton resonances in RIXS.

Insights into pairing mechanisms in cuprates from combined theory and experiment.

Abstract

Hubbard excitons are bound states of doublons and holes that can be experimentally probed both in real materials, such as cuprates, and in cold atom quantum simulators. Here we compare properties of a Hubbard exciton to those of a pair of distinguishable dopants in the $t-J$ model and show how insights into pair properties can be obtained through excitonic spectra. In particular, we perform large-scale numerical simulations of spectral functions and optical conductivities and obtain remarkable agreement between Hubbard excitons and pairs of distinguishable dopants. The latter can be decomposed into symmetric (bosonic) and anti-symmetric (fermionic) sectors of indistinguishable dopants, thus enabling a detailed understanding of different features observed in the excitonic spectra through comparison with a semi-analytical geometric string theory approach. We further compare theoretically computed exciton spectra in a single band Fermi-Hubbard model to resonant inelastic X-ray scattering (RIXS) studies of the parent insulating cuprate materials. We find remarkable agreement between the two spectra in both energy and momentum dependence. Our analysis suggests that multiple long-lived ro-vibrational exciton resonances have been observed in RIXS spectra. Experimentally, these features are known to persist up to optimal doping. The comparison we provide between semi-analytical theory, large-scale numerics, and experimental data thus provides an explanation of the RIXS measurements and provides new insight into the nature of pairing in cuprates.