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Physical review. B./Physical review. B

Exploring the magnetic phases in the one-band Hubbard model: Impact of long-range hopping

Sudip Mandal, Sandip Halder, Kalpataru Pradhan

Published Aug 14, 2025• 2 citations
Publisher

Abstract

Correlated electron systems with competing interactions provide a valuable platform for examining exotic magnetic phases. Theoretical models often focus on nearest-neighbor interactions, although long-range interactions can have a considerable impact on the behavior of the system, creating distinct and complicated magnetic phases. We investigate the consequences of competing interactions in a half-filled one-band Hubbard model on a simple cubic lattice, incorporating hopping processes up to third-nearest-neighbors, to explore the underlying magnetotransport properties. Our magnetic phase diagrams at low temperatures, obtained using semiclassical Monte Carlo analysis, reveal that the long-range interactions can disrupt one form of magnetic phase while creating a new type of magnetic order. For the nonperturbative regime (on-site Hubbard repulsive strength $U\ensuremath{\sim}$ bandwidth), the C-type antiferromagnetic ground state is preferred over the G-type antiferromagnetic phase when the interaction between second-nearest-neighbor sites becomes significant relative to the nearest-neighbor interactions. However, interactions beyond the second-nearest-neighbors are required to stabilize the A-type antiferromagnetic ground state. Remarkably, at low temperatures, a highly correlated paramagnetic insulating phase develops at the intersection between the antiferromagnetic phases, which might promote a three-dimensional spin-liquid state.

DOI
10.1103/f118-wk1t

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Correlated electron systems with competing interactions provide a valuable platform for examining exotic magnetic phases. Theoretical models often focus on nearest-neighbor interactions, although long-range interactions can have a considerable impact on the behavior of the system, creating distinct and complicated magnetic phases. We investigate the consequences of competing interactions in a half-filled one-band Hubbard model on a simple cubic lattice, incorporating hopping processes up to third-nearest-neighbors, to explore the underlying magnetotransport properties. Our magnetic phase diagrams at low temperatures, obtained using semiclassical Monte Carlo analysis, reveal that the long-range interactions can disrupt one form of magnetic phase while creating a new type of magnetic order. For the nonperturbative regime (on-site Hubbard repulsive strength U\ensuremath∼U\ensuremath{\sim}U\ensuremath∼ bandwidth), the C-type antiferromagnetic ground state is preferred over the G-type antiferromagnetic phase when the interaction between second-nearest-neighbor sites becomes significant relative to the nearest-neighbor interactions. However, interactions beyond the second-nearest-neighbors are required to stabilize the A-type antiferromagnetic ground state. Remarkably, at low temperatures, a highly correlated paramagnetic insulating phase develops at the intersection between the antiferromagnetic phases, which might promote a three-dimensional spin-liquid state.
We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (t2{t}_{2}t2​) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if t2{t}_{2}t2​\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moiré materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these developments, here, we investigate a generalization of the Hubbard model which includes the effects of long-range Coulomb interactions. Working on finite-sized two-dimensional square and triangular lattices, we use exact diagonalization and density-matrix renormalization group calculations to probe the magnetic structure of the ground state in the strong-coupling regime, where UUU (the onsite repulsion) ≫\gg≫ ttt (the nearest-neighbor hopping). For small electron dopings above the half-filled antiferromagnet, we numerically uncover a rich variety of magnetically ordered states, and in conjunction with theoretical arguments, infer the phase diagram of the system as a function of doping and interaction strengths. In particular, we find that the inclusion of long-range Coulomb interactions induces an instability of high-spin states$\unicode{x2014}$such as the saturated Nagaoka ferromagnet$\unicode{x2014}$towards phase separation and stripe ordering. We also present proposals for the observation of some of our key findings in experiments that would shed further light on this paradigmatic strongly correlated system.
The Hubbard model has attracted considerable interest due to its prototypical role in describing strongly interacting electronic systems, such as high-critical-temperature superconductors as well as many novel quantum materials. By introducing next-nearest-neighbor (NNN) hoppings to the Hubbard model, the phase diagram becomes richer, and fascinating phenomena arise in both, one-dimensional chains and square lattices, such as: antiferromagnetism, ferromagnetism, superconductivity (SC), as well as charge orders, among others. Moreover, NNN hoppings play a fundamental role in understanding effects of doping on magnetism and pairing orders in strongly interacting regimes. In this article, we review the recent progress in understanding the different competing phases of this model in one and two dimensions from a computational perspective. We comment on the pressing technical challenges, illustrate the controversial results concerning the emergence of the SC phase, and conclude with our perspectives on future explorations.
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.
A one-dimensional model of interacting electrons with on-site U, nearest-neighbor V, and correlated-hopping interaction T∗{T}^{*}T∗ 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- and charge-density wave phases for large U and V, respectively, we identify bond-located ordered phases corresponding to an enhanced Peierls instability in the system for ${T}^{*}>0, |U\ensuremath{-}2V|<{8T}^{*}/\ensuremath{\pi}$ and to a staggered magnetization located on bonds between sites for ${T}^{*}<0, |U\ensuremath{-}2V|<8|{T}^{*}|/\ensuremath{\pi}.$ The general ground-state phase diagram including insulating, metallic, and superconducting phases is discussed.
We investigate the magnetotransport properties of the one-band Hubbard-Holstein model at half-filling in three dimensions (3D) using exact diagonalization based semi-classical Monte Carlo simulations with phonons treated in the adiabatic limit. The low-temperature electronic correlation UUU vs electron-phonon coupling VVV phase diagram reveals two insulating phases--antiferromagnetic (AF-I) and charge-ordered (CO-I)--separated by a first-order transition, with no metallic phase observed at their intersection, indicating robustness of these phases in 3D. For U∼bandwidthU \sim bandwidthU∼bandwidth, the VVV vs temperature TTT phase diagram exhibits multiple phases including AF-I, CO-I, Mott-Hubbard insulator, bipolaronic insulator, and two bipolaronic metallic states. Several first-order transitions occur near V∼3.75V \sim 3.75V∼3.75. Above the ordering temperature, the density of states shows universal behavior dominated by electronic contribution, while susceptibility and DOS analyses reveal pseudogap features. Magnetic and transport properties along the phase boundary highlight strong proximity effects between competing phases, suggesting routes for tuning correlated materials and emergent electronic states.