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arXiv:2303.10193 · Physical review. B./Physical review. B

Ground-state and spectral properties of the doped one-dimensional optical Hubbard-Su-Schrieffer-Heeger model

Debshikha Banerjee, Jinu Thomas, Alberto Nocera, Steven Johnston

Published Jun 6, 2023• 15 citations
arXivHTMLPDF

Abstract

We present a density matrix renormalization group study of the doped one-dimensional (1D) Hubbard-Su-Schrieffer-Heeger (Hubbard-SSH) model, where the atomic displacements linearly modulate the nearest-neighbor hopping integrals. Focusing on an optical variant of the model in the strongly correlated limit relevant for cuprate spin chains, we examine how the SSH interaction modifies the model's ground- and excited-state properties. The SSH coupling weakly renormalizes the model's single- and two-particle response functions for electron-phonon $(e\text{\ensuremath{-}}\mathrm{ph})$ coupling strengths below a parameter-dependent critical value ${g}_{\mathrm{c}}$. For larger $e\text{\ensuremath{-}}\mathrm{ph}$ coupling, the sign of the effective hopping integrals changes for a subset of orbitals, which drives a lattice dimerization distinct from the standard nesting-driven picture in 1D. The spectral weight of the one- and two-particle dynamical response functions are dramatically rearranged across this transition, with significant changes in the ground-state correlations. We argue that this dimerization results from the breakdown of the linear approximation for the $e\text{\ensuremath{-}}\mathrm{ph}$ coupling and thus signals a fundamental limitation of the linear SSH interaction. Our results have consequences for our understanding of how SSH-like interactions can enter the physics of strongly correlated quantum materials, including the recently synthesized doped cuprate spin chains.

DOI
10.1103/physrevb.107.235113

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We present a density matrix renormalization group study of the doped one-dimensional (1D) Hubbard-Su-Schrieffer-Heeger (Hubbard-SSH) model, where the atomic displacements linearly modulate the nearest-neighbor hopping integrals. Focusing on an optical variant of the model in the strongly correlated limit relevant for cuprate spin chains, we examine how the SSH interaction modifies the model's ground- and excited-state properties. The SSH coupling weakly renormalizes the model's single- and two-particle response functions for electron-phonon (e\ensuremath-ph)(e\text{\ensuremath{-}}\mathrm{ph})(e\ensuremath-ph) coupling strengths below a parameter-dependent critical value gc{g}_{\mathrm{c}}gc​. For larger e\ensuremath-phe\text{\ensuremath{-}}\mathrm{ph}e\ensuremath-ph coupling, the sign of the effective hopping integrals changes for a subset of orbitals, which drives a lattice dimerization distinct from the standard nesting-driven picture in 1D. The spectral weight of the one- and two-particle dynamical response functions are dramatically rearranged across this transition, with significant changes in the ground-state correlations. We argue that this dimerization results from the breakdown of the linear approximation for the e\ensuremath-phe\text{\ensuremath{-}}\mathrm{ph}e\ensuremath-ph coupling and thus signals a fundamental limitation of the linear SSH interaction. Our results have consequences for our understanding of how SSH-like interactions can enter the physics of strongly correlated quantum materials, including the recently synthesized doped cuprate spin chains.
Electron-phonon (e-ph) interactions play a crucial role in determining many properties of materials. In this context, the Su-Schrieffer-Heeger (SSH) model, where atomic motion modulates the electronic hopping, has gained significant attention due to its potential for strong electron pairing in relation to high-Tc superconductivity. Previous studies of the SSH models have addressed many aspects of this problem, but have focused heavily on either dilute or half-filled models with dispersionless (Einstein) phonons. Here, we study the effects of dispersive optical phonons on the lightly doped one-dimensional optical Hubbard-SSH model using the density matrix renormalization group. We observe a significant enhancement in singlet binding driven by phonon dispersion; however, by calculating various correlation functions, we find that the enhanced binding does not translate to increased superconducting correlations but rather robust bond correlations in the studied parameter regime. Nevertheless, the significant impact of phonon dispersion on these correlations highlights the need to go beyond the Einstein phonon limit while modeling realistic quantum materials.
Electron-phonon (eee-ph) interactions arise in many strongly correlated quantum materials from the modulation of the nearest-neighbor hopping integrals, as in the celebrated Su-Schrieffer-Heeger (SSH) model. Nevertheless, relatively few non-perturbative studies of correlated SSH models have been conducted in dimensions greater than one, and those that have been done have primarily focused on bond models, where generalized displacements independently modulate each hopping integral. We conducted a sign-problem free determinant quantum Monte Carlo study of the optical SSH-Hubbard model on a two-dimensional square lattice, where site-centered phonon modes simultaneously modulate pairs of nearest-neighbor hopping integrals. We report the model's low-temperature phase diagram in the challenging adiabatic regime (Ω/EF∼1/8Ω/E_\mathrm{F} \sim 1/8Ω/EF​∼1/8). It exhibits insulating antiferromagnetic Mott and bond-order-wave (BOW) phases with a narrow region of coexistence between them. We also find that a critical eee-ph coupling is required to stabilize the BOW phase in the small UUU limit. Lastly, in stark contrast to recent findings for the model's bond variant, we find no evidence for a long-range antiferromagnetism in the pure (U/t=0)(U/t=0)(U/t=0) optical SSH model.
We study one-dimensional Su-Schrieffer-Heeger (SSH) models with quantum phonons using a continuous-time quantum Monte Carlo method. Within statistical errors, we obtain identical results for the SSH model with acoustic phonons, and a related model with a coupling to an optical bond phonon mode. Based on this agreement, we first study the Peierls metal-insulator transition of the spinless SSH model, and relate it to the Kosterlitz-Thouless transition of a spinless Luttinger liquid. In the Peierls phase, the spectral functions reveal the single-particle and charge gap, and a central peak related to long-range order. For the spinful SSH model, which has a dimerized ground state for any nonzero coupling, we reveal a symmetry-related degeneracy of spin and charge excitations, and the expected spin and charge gaps as well as a central peak. Finally, we study the SSH-UVUVUV model with electron-phonon and electron-electron interaction. We observe a Mott phase with critical spin and bond correlations at weak electron-phonon coupling, and a Peierls phase with gapped spin excitations at strong coupling. We relate our findings to the extended Hubbard model, and discuss the physical origin of the agreement between optical and acoustic phonons.
This thesis investigates the interplay between electron-electron and electron-phonon interactions in low-dimensional lattice models, specifically within the Hubbard model incorporating Su-Schrieffer-Heeger (SSH) coupling with phonons. SSH interactions, which modulate the electron hopping amplitude through lattice displacements, have recently attracted renewed interest due to their potential relevance in strongly correlated materials. The main objective of this work is to determine whether the inclusion of SSH couplings in the Hubbard model can stabilize superconducting or spin-gapped metallic states, as well as other exotic phases of matter. While the half-filled SSH-Hubbard model has been extensively studied in one dimension and only partially examined in two dimensions, its phase diagram in the doped regime remains largely unexplored. This thesis aims to fill this gap, focusing on the emergence of correlated phases away from half-filling in both one and two spatial dimensions. We use the variational Monte Carlo method with a trial wave function defined in a hybrid electron-phonon Hilbert space. In addition to Jastrow factors that account for correlation effects, the wave function includes an antisymmetric component that captures backflow-inspired electron-phonon correlations. This approach enables us to accurately model both electron-electron and electron-phonon interactions. Moreover, since the variational method avoids the sign problem, we can simulate the system in the doped regime, an area typically inaccessible to exact quantum Monte Carlo methods (QMC), which are limited to half-filling. In one dimension, we observe the stabilization of a Luther-Emery liquid, a metallic phase with gapless charge excitations and a finite spin gap, upon doping a Peierls insulating phase. This finding resolves a long-standing debate regarding its realization in SSH chains. Benchmarking with density-matrix renormalization group results confirms the reliability of our approach. In two dimensions, we investigate the SSH-Hubbard model on the square lattice, obtaining results that are consistent with previous exact QMC studies at half-filling. Upon doping, we observe that SSH phonons can induce s-wave superconductivity in the weakly correlated regime. However, we suggest that the enhancement of d-wave superconductivity by SSH coupling in the strongly correlated regime may significantly depend on the specific implementation of the SSH interaction. In one particular case, we find that d-wave superconductivity is slightly suppressed by SSH coupling. These results are further confirmed by a Hartree-Fock analysis performed in the anti-adiabatic limit. Overall, this thesis highlights the crucial role of lattice effects in correlated electron systems, shedding light on the distinct contributions of SSH-type couplings in one and two dimensions. Our findings provide new insights into the microscopic mechanisms behind exotic metallic phases and set the stage for further studies of phonon-mediated phenomena in correlated systems.
We study the Hubbard model on the square lattice coupled in addition to the optical Su-Schrieffer-Heeger (SSH) phonons, using the singular-mode functional renormalization group method. At half filling and in the absence of the Hubbard interaction UUU, we find the degenerate spin-density-wave--charge-density-wave--sss-wave-superconductivity state at smaller electron-phonon coupling strength $\ensuremath{\lambda}$ and higher phonon frequency $\ensuremath{\omega}$, and the valence bond solid (VBS) state at larger $\ensuremath{\lambda}$ and lower $\ensuremath{\omega}$. After switching on a positive UUU, the VBS state is suppressed, while the spin-density wave (SDW) state is enhanced. At finite doping, the SSH phonon is found to favor sss-wave superconductivity (sSC) at U=0U=0U=0. With increasing positive UUU, we find ddd-wave superconductivity (dSC) and incommensurate SDW states. In a narrow window of moderate UUU and $\ensuremath{\lambda}$, we also find the incommensurate VBS state. The sSC and dSC here can be naturally related to the charge-density wave (CDW) and SDW fluctuations, both of which can be triggered by the SSH phonons. In contrast, the repulsive interaction UUU enhances SDW but suppresses CDW fluctuations. Our results at half filling are consistent with quantum Monte Carlo (QMC) and provide insights at finite doping where QMC may suffer from the minus sign problem.
The interplay and competition of topology and electron--electron interactions have fascinated researchers since the discovery of topological insulators. The Su--Schrieffer--Heeger--Hubbard (SSH-Hubbard) model is a prototypical model which includes both nontrivial topology and interactions. Due to its simplicity, there are several artificial quantum systems which can realize such a model to a good approximation. Here we focus on the quarter-filled case, where interactions and dimerization open a charge gap. In particular, we study the single-particle spectral function for the extended SSH-Hubbard model with magnetic field and explore several parameter limits where effective model descriptions arise. In the strongly dimerized limit, we show that the low-energy excitations of the spectral function resemble a half-filled Hubbard model with effective dimer sites and renormalized couplings. For strong magnetic field and interactions, we find physics akin to the spinless Su--Schrieffer--Heeger model at half filling, featuring a noninteracting topological phase transition. Moreover, in light of the recent realization of this model in quantum dot simulation, we provide evidence for the stability of the topological phase towards moderate nonlocal interactions in the experimentally expected parameter range.