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arXiv:2505.01725 · Physical Review Letters

Polarization-Driven Charge Frustration and Emergent Phases in the One-Dimensional Extended Hubbard Model

Sourabh Saha, Jeroen van den Brink, Manoranjan Kumar, Satoshi Nishimoto

Published Nov 13, 2025• 1 citation
arXivHTMLPDF

Abstract

Frustration is a key driver of exotic quantum phases, yet its role in charge dynamics remains largely unexplored. We show that charge frustration-induced by electronic polarization effects-stabilizes unconventional insulating states in the one-dimensional extended Hubbard model. Using exact diagonalization and density-matrix renormalization group, we uncover a charge-disordered phase that remains insulating despite lacking long-range order and possessing an effectively attractive on-site interaction-a behavior reminiscent of gapful spin liquids in frustrated spin systems. We also identify a fragile ferroelectric phase and a charge-density-wave state with emergent eight-site periodicity. These findings establish charge frustration, driven by charge-dipole interactions, as a robust mechanism for realizing exotic phases in low-dimensional correlated systems, with implications for organic conductors, transition-metal oxides, and ultracold polar molecules.

DOI
10.1103/d5sw-qdfp

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Frustration is a key driver of exotic quantum phases, yet its role in charge dynamics remains largely unexplored. We show that charge frustration-induced by electronic polarization effects-stabilizes unconventional insulating states in the one-dimensional extended Hubbard model. Using exact diagonalization and density-matrix renormalization group, we uncover a charge-disordered phase that remains insulating despite lacking long-range order and possessing an effectively attractive on-site interaction-a behavior reminiscent of gapful spin liquids in frustrated spin systems. We also identify a fragile ferroelectric phase and a charge-density-wave state with emergent eight-site periodicity. These findings establish charge frustration, driven by charge-dipole interactions, as a robust mechanism for realizing exotic phases in low-dimensional correlated systems, with implications for organic conductors, transition-metal oxides, and ultracold polar molecules.
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The Hubbard-Holstein model is one of the central models that describe the competition between electron-electron and electron-phonon interactions. In one dimension and at half-filling, the interplay between an electronic spin-density wave and a phonon-driven charge-density wave is considered to stabilize an intermediate Luther-Emery liquid. Here we show that, once the extended metallic regime disappears, a narrow bond-order-wave phase emerges. We use an exact directed-loop quantum Monte Carlo method for retarded interactions to simulate system sizes of several hundred sites, necessary to observe the weak signatures of this novel phase. Our results suggest a second-order quantum phase transition between the two charge orders that only turns first-order at strong coupling. Our findings are reminiscent of the extended Hubbard model, but they are driven by competing frequency dependencies of the same dynamically-screened Hubbard interaction.
The opening of a charge gap driven by interaction is a fingerprint of the transition to a Mott insulating phase. In strongly correlated low-dimensional quantum systems, it can be associated to the ordering of hidden non-local operators. For Fermionic 1D models, in the presence of spin–charge separation and short-ranged interaction, a bosonization analysis proves that such operators are the parity and/or string charge operators. In fact, a finite fractional non-local parity charge order is also capable of characterizing some two-dimensional Mott insulators, in both the Fermionic and the bosonic cases. When string charge order takes place in 1D, degenerate edge modes with fractional charge appear, peculiar of a topological insulator. In this article, we review the above framework, and we test it to investigate through density-matrix-renormalization-group (DMRG) numerical analysis the robustness of both hidden orders at half-filling in the 1D Fermionic Hubbard model extended with long range density-density interaction. The preliminary results obtained at finite size including several neighbors in the case of dipolar, screened and unscreened repulsive Coulomb interactions, confirm the phase diagram of the standard extended Hubbard model. Besides the trivial Mott phase, the bond ordered and charge density wave insulating phases are also not destroyed by longer ranged interaction, and still manifest hidden non-local orders.
Unique features of the nonmagnetic insulator phase are revealed, and the phase diagram of the $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}$ Hubbard model containing the diagonal transfers ${t}^{\ensuremath{'}}$ on a square lattice is presented. Using the path-integral renormalization group method, we find an antiferromagnetic phase for small next-nearest-neighbor transfer ${t}^{\ensuremath{'}}$ and a stripe (or collinear) phase for large ${t}^{\ensuremath{'}}$ in the Mott insulating region of the strong on-site interaction UUU. For intermediate ${t}^{\ensuremath{'}}∕t\ensuremath{\sim}0.7$ at large U∕t>7U∕t>7U∕t>7, we find a longer-period antiferromagnetic-insulator phase with $2\ifmmode\times\else\texttimes\fi{}4$ structure. In the Mott insulating region, we also find a quantum spin liquid (in other words, a nonmagnetic insulator) phase near the Mott transition to paramagnetic metals for the $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}$ Hubbard model on the square lattice as well as on the anisotropic triangular lattice. Correlated electrons often crystallize to the Mott insulator usually with some magnetic orders, whereas the ``quantum spin liquid" has been a long-sought issue. We report numerical evidence that a nonmagnetic insulating phase gets stabilized near the Mott transition with remarkable properties: The two-dimensional Mott insulators on geometrically frustrated lattices contain a phase with gapless spin excitations and degeneracy of the ground state in the whole Brillouin zone of the total momentum. The obtained vanishing spin renormalization factor suggests that spin excitations do not propagate coherently in contrast to conventional phases, where there exist either magnons in symmetry-broken phases or particle-hole excitations in paramagnetic metals. It imposes a constraint on the possible pictures of quantum spin liquids and supports an interpretation for the existence of an unconventional quantum liquid. The present concept is useful in analyzing a variety of experimental results in frustrated magnets including organic BEDT-TTF compounds and 3He^{3}\mathrm{He}3He atoms adsorbed on graphite.
The one-dimensional unconventional Hubbard model with alternating on-site interaction at odd (Uo) and even (Ue) lattice sites is analytically studied in the weak-coupling regime. The existence of unequal on-site repulsion (Uo≠Ue) makes a dramatic impact on the charge excitation behavior in one dimension. At quarter filling, the alternating Hubbard interaction leads to the occurrence of umklapp processes and to the generation of a charge gap. As usual, the low-energy spin excitation is still massless. The ground state shows insulating behavior, characterized by the coexisting spin-density-wave and charge-density-wave instabilities.
Ideas about resonant valence bond liquids and spin-charge separation have led to key concepts in physics such as quantum spin liquids, emergent gauge symmetries, topological order and fractionalization. Despite extensive efforts to demonstrate the existence of a resonant valence bond phase in the Hubbard model that originally motivated the concept, a definitive realization has yet to be achieved. Here we present a solution to this long-standing problem by uncovering a resonant valence bond phase exhibiting spin-charge separation in realistic Hamiltonians. We show analytically that this ground state emerges in the dilute-doping limit of a half-filled Mott insulator on corner-sharing tetrahedral lattices with frustrated hopping, in the absence of exchange interactions. We confirm numerically that the results extend to finite exchange interactions, finite-sized systems and finite dopant density. Although much attention has been devoted to the emergence of unconventional states from geometrically frustrated interactions, our work demonstrates that kinetic energy frustration in doped Mott insulators may be essential for stabilizing robust, topologically ordered states in real materials.