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arXiv:2503.02278 · Physical review. B./Physical review. B

Phase diagram of a coupled trimer system at half filling using the Hubbard model

Sourabh Saha, Hosho Katsura, Manoranjan Kumar

Published Mar 19, 2025• 2 citations
arXivHTMLPDF

Abstract

Flat band systems have recently attracted significant attention due to their instability under small perturbations, which can lead to the stabilization of many exotic quantum phases. We study a trimer ladder which shows a middle flat band in the absence of onsite Coulomb interaction. We investigate the quantum phases of the Hubbard model on this geometry using exact diagonalization, density matrix renormalization group, and perturbation theory. We construct a quantum phase diagram in the plane of the next-nearest-neighbor hopping parameter ${t}_{2}$ and onsite Coulomb interaction $U$, revealing five distinct quantum phases. At low $U$ and moderate to high magnitude of ${t}_{2}$, the system exhibits metallic behavior, while at large $U$ and small magnitude of ${t}_{2}$, it transitions to a ferrimagnetic insulator phase, similar to those observed in certain trimer materials. In the small ${t}_{2}$ limit, the Fermi energy is in the flat band, leading to localization of the electrons within the trimer. At low $U$ and small magnitude of ${t}_{2}$, the flat band mechanism favors insulating ferrimagnetism, whereas at large $U$, ferrimagnetic states emerge from singlet dimer formation between neighboring sites of a trimer and an isolated corner spin, which connect ferromagnetically. The insulating cell spin density wave phase displays an up-up--down-down spin configuration due to competing nearest-neighbor hopping ${t}_{1}$. Interestingly, in moderate $U$ and $|{t}_{2}|>0.3$, the ground state behaves like metallic Tomonaga-Luttinger liquid.

DOI
10.1103/physrevb.111.094425

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The Lieb theorem is a cornerstone of quantum magnetism theory in condensed matter. In this work, we investigate the instability of the Lieb insulating ferrimagnetic phase in the extended Hubbard model on a trimer chain at half-filling, with one electron per site, under increasing the nearest-neighbor Coulomb coupling VVV. Our results show that despite a noticeable increase in doublon density with VVV, the ferrimagnetic insulating phase remains robust up to the phase separation (PS) line, which is observed at $V\ensuremath{\gtrsim}U/4$, where UUU is the local Coulomb repulsion. Above the PS line, one of the coexisting phases is primarily populated by doublons on one of the two sublattices of the chain. This phase coexists with a metallic, unsaturated ferromagnetic phase for $U\ensuremath{\gtrsim}t$, and with a singlet phase for $U\ensuremath{\lesssim}t$, where ttt is the intratrimer hopping amplitude. We estimate the PS and the crossover lines with the help of density matrix renormalization group calculations.
We investigate the ground-state phase diagram of the half-filled one-dimensional Hubbard model with next-nearest-neighbor hopping using the density-matrix renormalization-group technique as well as an unrestricted Hartree-Fock approximation. We find commensurate and incommensurate disordered magnetic insulating phases and a spin-gapped metallic phase in addition to the one-dimensional Heisenberg phase. At large on-site Coulomb repulsion U, we make contact with the phase diagram of the frustrated Heisenberg chain, which has spin-gapped phases for sufficiently large frustration. For weak U, sufficiently large next-nearest-neighbor hopping t2{t}_{2}t2​ leads to a band structure with four Fermi points rather than two, producing a spin-gapped metallic phase. As U is increased in this regime, the system undergoes a Mott-Hubbard transition to a frustrated antiferromagnetic insulator.
We study the one-dimensional Hubbard model with nearest-neighbor and next-nearest-neighbor hopping integrals by using the density-matrix renormalization group method and Hartree-Fock approximation. Based on the calculated results for the spin gap, total-spin quantum number, and Tomonaga-Luttinger-liquid parameter, we determine the ground-state phase diagram of the model in the entire filling and wide parameter region. We show that, in contrast to the weak-coupling regime where a spin-gapped liquid phase is predicted in the region with four Fermi points, the spin gap vanishes in a substantial region in the strong-coupling regime. It is remarkable that a large variety of phases, such as the paramagnetic metallic phase, spin-gapped liquid phase, singlet and triplet superconducting phases, and fully polarized ferromagnetic phase, appear in such a simple model in the strong-coupling regime.
We study the phase diagram of the one-dimensional Hubbard model with next-nearest-neighbor hopping using exact diagonalization, the density-matrix renormalization group, the Edwards variational ansatz, and an adaptation of weak-coupling calculations on the two-chain Hubbard model. We find that a substantial region of the strong-coupling phase diagram is ferromagnetic, and that three physically different limiting cases are connected in one ferromagnetic phase. At a point in the phase diagram at which there are two Fermi points at weak coupling, we study carefully the phase transition from the paramagnetic state to the fully polarized one as a function of the on-site Coulomb repulsion. We present evidence that the transition is second order and determine the critical exponents numerically. In this parameter regime, the system can be described as a Luttinger liquid at weak coupling. We extract the Luttinger-liquid parameters and show how their behavior differs from that of the nearest-neighbor Hubbard model. The general weak-coupling phase diagram can be mapped onto that of the two-chain Hubbard model. We exhibit explicitly the adapted phase diagram and determine its validity by numerically calculating spin and charge gaps using the density-matrix renormalization group.
We investigate the ground-state phase diagram of the quarter-filled Hubbard ladder with nearest-neighbor Coulomb repulsion VVV using the density matrix renormalization-group technique. The ground state is homogeneous at small V,V,V, a ``checkerboard'' charge-ordered insulator at large VVV and not too small on site Coulomb repulsion U, and is phase separated for moderate or large VVV and small U. The zero-temperature transition between the homogeneous and the charge-ordered phase is found to be second order. In both the homogeneous and the charge-ordered phases the existence of a spin gap mainly depends on the ratio of interchain to intrachain hopping. In the second part of the paper we construct an effective Hamiltonian for the spin degrees of freedom in the strong-coupling, charge-ordered regime that maps the system onto a frustrated spin chain. The opening of a spin gap is thus connected with spontaneous dimerization.
A one-dimensional model of interacting electrons with on-site U, nearest- neighbor V, and pair-hopping interaction W is studied at half-filling using the continuum limit field theory approach. The ground state phase diagram is obtained for a wide range of coupling constants. In addition to the insulating spin-density wave (SDW) and charge-density wave (CDW) phases for large U and V, respectively, we identify a bond-charge-density-wave (BCDW) phase W < 0, \U - 2V\ < \2W\ and a bond-spin-density-wave (BSDW) for W > 0, \U - 2V\ < W. The possibility of bond-located ordering results from the site-off-diagonal nature of the pair-hopping term and is a special feature of the half-filled band case. The BCDW phase corresponding to an enhanced Peierls instability in the system. The BdSDW is an unconventional insulating magnetic phase, characterized by a gapless spin excitation spectrum and a staggered magnetization located on bonds between sites. The general ground state phase diagram including insulating, metallic, and superconducting phases is discussed. A transition to the eta(pi) -superconducting phase at \U - 2V\ much less than 2t less than or equal to W is briefly discussed.