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arXiv:2406.11952

Solitons with irrational charge in a one-dimensional quantum ferroelectric

Sijia Zhao, Steven Allan Kivelson

Published Jun 17, 2024• 0 citations
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Abstract

We use analytic (mean-field) and density-matrix renormalization group (DMRG) methods to study a simplified one-dimensional version of the SSH-Holstein model of electron-phonon interactions with one electron per site (half filling) where, as a function of the ratio of the two couplings, three distinct insulating phases arise - a site-centered charge-density-wave (CDW), a bond-centered bond-density-wave (BDW), and an intermediate ferroelectric (inversion-symmetry breaking) phase with coexisting CDW and BDW order. In the intermediate phase our DMRG results establish the existence of point-like soliton excitations with irrational charge (that depends on a ratio of coupling constants) and either spin 1/2 or spin 0, and a surprisingly light effective mass.

DOI
10.48550/arxiv.2406.11952

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We use analytic (mean-field) and density-matrix renormalization group (DMRG) methods to study a simplified one-dimensional version of the SSH-Holstein model of electron-phonon interactions with one electron per site (half filling) where, as a function of the ratio of the two couplings, three distinct insulating phases arise - a site-centered charge-density-wave (CDW), a bond-centered bond-density-wave (BDW), and an intermediate ferroelectric (inversion-symmetry breaking) phase with coexisting CDW and BDW order. In the intermediate phase our DMRG results establish the existence of point-like soliton excitations with irrational charge (that depends on a ratio of coupling constants) and either spin 1/2 or spin 0, and a surprisingly light effective mass.
The one-dimensional Kondo lattice model with attractive interaction among the conduction electrons is analyzed in the case of half-filling. It is shown that there are three distinct phases depending on the coupling constants of the model. Two phases have a spin and charge gap. While one shows a clear distinction of the spin and charge excitation spectrum the other phase may be characterized as a band insulator type where both excitations are due to two-particle states. The third phase is gapless in both channels and has quasi-long-range order in the spin- and charge-density-wave correlation. In this phase the spin and charge excitations have a clearly separated spectrum. For the analysis we discuss first two limiting cases. Then a density matrix renormalization group calculation on finite systems is applied to determine the phase diagram and the correlation functions in the gapped and gapless phase for general coupling constants.
Most nonperturbative numerical studies of electron-phonon interactions focus on model Hamiltonians where the electrons interact with a phonon branch via a single type of microscopic mechanism. Two commonly explored couplings in this context are the Holstein and Su-Schrieffer-Heeger (SSH) interactions, which describe phonons modulating the on-site energy and intersite electron hopping, respectively. Many materials, however, have multiple phonon branches that can each interact with electronic degrees of freedom in different ways. We present here a determinant quantum Monte Carlo study of the half-filled two-dimensional (bond) SSH-Holstein Hamiltonian, where electrons couple to different phonon branches via either the Holstein or SSH mechanism. We map the model's phase diagram and determine the nature of the transitions between charge-density wave, bond-order wave, and antiferromagnetic order.
We revisit the ground-state phase diagram of the one-dimensional half-filled extended Hubbard model with on-site (U) and nearest-neighbor (V) repulsive interactions. In the first half of the paper, using the weak-coupling renormalization-group approach (g(g(g-ology) including second-order corrections to the coupling constants, we show that bond-charge-density-wave (BCDW) phase exists for $U\ensuremath{\approx}2V$ in between charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons disfavors the BCDW state and leads to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line. In the second half of the paper, we investigate the phase diagram of the extended Hubbard model with either additional staggered site potential $\ensuremath{\Delta}$ or bond alternation $\ensuremath{\delta}.$ Although the alternating site potential $\ensuremath{\Delta}$ strongly favors the CDW state (that is, a band insulator), the BCDW state is not destroyed completely and occupies a finite region in the phase diagram. Our result is a natural generalization of the work by Fabrizio, Gogolin, and Nersesyan [Phys. Rev. Lett. 83,83,83, 2014 (1999)], who predicted the existence of a spontaneously dimerized insulating state between a band insulator and a Mott insulator in the phase diagram of the ionic Hubbard model. The bond alternation $\ensuremath{\delta}$ destroys the SDW state and changes it into the BCDW state (or Peierls insulating state). As a result the phase diagram of the model with $\ensuremath{\delta}$ contains only a single critical line separating the Peierls insulator phase and the CDW phase. The addition of $\ensuremath{\Delta}$ or $\ensuremath{\delta}$ changes the universality class of the CDW-BCDW transition from the Gaussian transition into the Ising transition.
By using the density-matrix renormalization-group numerical method, we investigate the bond order wave (BOW) and energy gap (EG) in a one-dimensional half-filling bond-charge attraction model, which can be mapped from the electron-phonon interacting Su-Schrieffer-Heeger (SSH) Hamiltonian at the antiadiabatic limit. The obtained results are compared with that of the SSH model at the adiabatic limit as well as that within the mean-field approximation. It is shown that a simple linear relation between the BOW and the EG is kept even at the antiadiabatic limit while the reduction of the BOW is much smaller than that of the EG.
We present a numerical study of the Hubbard-Holstein model in one dimension at half filling, including finite-frequency quantum phonons. At half filling, the effects of the electron-phonon and electron-electron interactions compete with the Holstein phonon coupling acting as an effective negative Hubbard on-site interaction U that promotes on-site electron pairs and a Peierls charge-density wave state. Most previous work on this model has assumed that only Peierls or Mott phases are possible at half filling. However, there has been speculation that a third metallic phase exists between the Peierls and Mott phases. We confirm the intermediate phase, and show that the Luttinger liquid correlation exponent K(rho) >1 in this region, indicating dominant superconducting pair correlations. We explore the full phase diagram as a function of Hubbard U, phonon coupling constant, and phonon frequency.
In order to clarify the physics of the crossover from a spin-density-wave (SDW) Mott insulator to a charge-density-wave (CDW) Peierls insulator in one-dimensional (1D) systems, we investigate the Hubbard-Holstein Hamiltonian at half filling within a density matrix renormalisation group (DMRG) approach. Determining the spin and charge correlation exponents, the momentum distribution function, and various excitation gaps, we confirm that an intervening metallic phase expands the SDW-CDW transition in the weak-coupling regime.