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arXiv:2406.16854

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

Annabelle Bohrdt, Eugene Demler, Fabian Grusdt

Published Jun 24, 2024• 0 citations
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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.

DOI
10.48550/arxiv.2406.16854

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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−Jt-Jt−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.
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We studied the possibility of exciton condensation in Mott insulating bilayers. In these strongly correlated systems, an exciton is the bound state of a double occupied and empty site. In the strong coupling limit, the exciton acts as a hard-core boson. Its physics is captured by the exciton ttt-JJJ model, containing an effective XXZXXZXXZ model describing the exciton dynamics only. Using numerical simulations and analytical mean-field theory, we constructed the ground-state phase diagram. Three homogeneous phases can be distinguished: the antiferromagnet, the exciton checkerboard crystal, and the exciton superfluid. For most model parameters, however, we predict macroscopic phase separation between these phases. The exciton superfluid exists only for large exciton hopping energy. Additionally, we studied the collective modes and susceptibilities of the three phases. In the superfluid phase, we find the striking feature that the bandwidth of the spin-triplet excitations, potentially detectable by resonant inelastic x-ray scattering (RIXS), is proportional to the superfluid density. The superfluid phase mode is visible in the charge susceptibility, measurable by RIXS or electron energy loss spectroscopy (EELS).
An emerging application of resonant inelastic x-ray scattering (RIXS) is the study of lattice excitations and electron-phonon ( e -ph) interactions in quantum materials. Despite the growing importance of this area of research, the community lacks a complete understanding of how the RIXS process excites the lattice and how these excitations encode information about the e -ph interactions. Here, we present a detailed study of the RIXS spectra of the Hubbard-Holstein model defined on extended one-dimensional lattices. Using the density matrix renormalization group method, we compute the RIXS response while treating the electron mobility, many-body interactions, and core-hole interactions on an equal footing. The predicted spectra exhibit notable differences from those obtained using the commonly adopted Lang-Firsov models, with important implications for analyzing past and future experiments. Our results provide a deeper understanding of how RIXS probes e -ph interactions and set the stage for a more realistic analysis of future experiments.
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In strongly correlated quantum materials, the behavior of charge carriers is dominated by strong electron-electron interactions. These can lead to insulating states with spin order, and upon doping to competing ordered states including unconventional superconductivity. The underlying pairing mechanism remains poorly understood however, even in strongly simplified theoretical models. Recent advances in quantum simulation allow to study pairing in paradigmatic settings, e.g. in the t-J t − J and t-J_z t − J z Hamiltonians. Even there, the most basic properties of paired states of only two dopants, such as their dispersion relation and excitation spectra, remain poorly studied in many cases. Here we provide new analytical insights into a possible string-based pairing mechanism of mobile holes in an antiferromagnet. We analyze an effective model of partons connected by a confining string and calculate the spectral properties of bound states. Our model is equally relevant for understanding Hubbard-Mott excitons consisting of a bound doublon-hole pair or confined states of dynamical matter in lattice gauge theories, which motivates our study of different parton statistics. Although an accurate semi-analytic estimation of binding energies is challenging, our theory provides a detailed understanding of the internal structure of pairs. For example, in a range of settings we predict heavy states of immobile pairs with flat-band dispersions - including for the lowest-energy d d -wave pair of fermions. Our findings shed new light on the long-standing question about the origin of pairing and competing orders in high-temperature superconductors.
We study the optical properties of an electron–hole two-band Hubbard model with interactions of electron–electron (hole–hole) repulsion U and electron–hole attraction U '. In the case of two types of correlated insulators at half filling, viz. , the Mott–Hubbard type and the biexciton type, interband linear absorption/gain spectra including excitonic effects are calculated analytically using two-site dynamical mean-field theory and ladder approximation. We show that an exciton-like peak structure emerges because of an “exciton” in the sea of correlated fermions when U ' is larger than a certain critical value. The binding energy of the photoinduced excitonic bound state and the spectral intensity are evaluated as a function of U '. The emergence and absence of the exciton-like peak suggests that there are two different insulating mechanisms in the Mott–Hubbard insulating state of the electron–hole system: one is attributable to only U and the other is attributable to both U and U '; the latter is called the excitonic Mott–Hubbard insulating state. The intrinsic difference of the mechanisms cannot be captured from only single-particle properties such as the density of states, but it appears clearly in optical properties reflecting two-particle correlations.