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Communications in Theoretical Physics

Tuning ferromagnetic correlations via van Hove singularities in the triangular lattice Hubbard model

Boyang Wen, Yaqi Cai, Tianxing Ma

Published Jan 26, 2026• 0 citations
Publisher

Abstract

Abstract We investigate magnetic correlation in the triangular lattice Hubbard model using determinant quantum Monte Carlo simulations. Focusing on the role of next-nearest-neighbor hopping t ′ and electron filling 〈 n 〉, we demonstrate that regions of high density of states, particularly near van Hove singularity (VHS) points, significantly enhance short-range ferromagnetic correlations as measured by the uniform spin susceptibility χ (Γ). Specifically, χ (Γ), quantifying ferromagnetic fluctuations, is amplified at fillings corresponding to the VHS for a given t ′ . Increasing the on-site Coulomb repulsion U further strengthens these ferromagnetic correlations, with a more pronounced effect at lower temperatures, and the observed ferromagnetic correlations are found to be short-ranged. Conversely, near half-filling 〈 n 〉 = 1.0, larger t ′ values promote antiferromagnetic (AFM) fluctuations, evidenced by an increase in χ ( K ). Our results reveal that t ′ and filling act as effective tuning parameters for manipulating the competition between ferromagnetic and AFM fluctuations in the triangular lattice.

DOI
10.1088/1572-9494/ae3d17

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Abstract We investigate magnetic correlation in the triangular lattice Hubbard model using determinant quantum Monte Carlo simulations. Focusing on the role of next-nearest-neighbor hopping t ′ and electron filling 〈 n 〉, we demonstrate that regions of high density of states, particularly near van Hove singularity (VHS) points, significantly enhance short-range ferromagnetic correlations as measured by the uniform spin susceptibility χ (Γ). Specifically, χ (Γ), quantifying ferromagnetic fluctuations, is amplified at fillings corresponding to the VHS for a given t ′ . Increasing the on-site Coulomb repulsion U further strengthens these ferromagnetic correlations, with a more pronounced effect at lower temperatures, and the observed ferromagnetic correlations are found to be short-ranged. Conversely, near half-filling 〈 n 〉 = 1.0, larger t ′ values promote antiferromagnetic (AFM) fluctuations, evidenced by an increase in χ ( K ). Our results reveal that t ′ and filling act as effective tuning parameters for manipulating the competition between ferromagnetic and AFM fluctuations in the triangular lattice.
We have investigated the magnetism and pairing correlations of the triangular lattice based on the Hubbard model using the determinant quantum Monte Carlo method and the constrained path Monte Carlo. The results show that the presence of the next-nearest-neighbor hopping integral ${t}^{\ensuremath{'}}$ introduces an additional energy scale to the system, and through ${t}^{\ensuremath{'}}$, one can regulate the shape of the density of states and thus the position of the van Hove singularity point. Increasing inverse temperature $\ensuremath{\beta}$ and on-site interaction UUU favor the formation of ferromagnetic correlation in a rather large filling region, and the calculations for different lattice sizes show that the range of the ferromagnetic correlations is smaller than the smallest lattice simulated at the investigated temperatures. We study the different pairing correlations of the triangular lattice near several typical fillings and show that the fff-wave pairing dominates the system in the filling region near the van Hove singularity point with a high density of states, where the ferromagnetic correlation is also enhanced. When the filling is close to half-filling, the pairing susceptibility with fff wave is suppressed and the pairing susceptibility of fn{f}_{n}fn​ wave is enhanced, however, both the effective pairing interaction with fff wave and fn{f}_{n}fn​ wave are negative, which indicates that neither fff-wave nor fn{f}_{n}fn​-wave superconductivity may exist. Finally, we find that the pairing channel of different symmetry in the system maybe closely related to the magnetic properties. Ferromagnetic fluctuation favors the formation of fff-wave pairing, while antiferromagnetic fluctuation tends to promote fn{f}_{n}fn​-wave pairing.
We perform a numerical study using both determinantal and constrain path Monte Carlo methods to investigate the magnetic and pairing properties of the single-band Hubbard model on the triangular lattice. We find that the system in the filling region ⟨n⟩=1.5−−1.85⟨n⟩=1.5--1.85⟨n⟩=1.5−−1.85 shows a short-ranged ferromagnetic correlation, and the on-site Coulomb interaction tends to strengthen ferromagnetic fluctuation slightly. It is shown that the large density of states near the Van Hove singularity point plays an important role in the enhancement of ferromagnetic fluctuation. In the ferromagnetic region, we observe that the fff-wave pairing correlation tends to increase faster than other pairing correlations. However, it is subtle to stabilize the fff-wave pairing since the effective pairing interaction was found to be very small.
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.
Using an improved version of the projection quantum Monte Carlo technique, we study the square-lattice Hubbard model with nearest-neighbor hopping ttt and next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ by simulation of lattices with up to $20\ifmmode\times\else\texttimes\fi{}20$ sites. For a given ${R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2t}^{\ensuremath{'}}/t$, we consider that filling which leads to a singular density of states of the noninteracting problem. For repulsive interactions, we find an itinerant ferromagnet (antiferromagnet) for R=0.94R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.94R=0.94 ( R=0.2R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.2R=0.2). This is consistent with the prediction of the TTT-matrix approximation, which sums the most singular set of diagrams.
A combination of analytical approaches and quantum Monte Carlo simulations is used to study both magnetic and pairing correlations for a version of the Hubbard model that includes second-neighbor hopping ${\mathit{t}}^{\ensuremath{'}}$=-0.35t as a model for high-temperature superconductors. Magnetic properties are analyzed using the two-particle self-consistent approach. The maximum in magnetic susceptibility as a function of doping appears both at finite ${\mathit{t}}^{\ensuremath{'}}$ and at ${\mathit{t}}^{\ensuremath{'}}$=0 but for two totally different physical reasons. When ${\mathit{t}}^{\ensuremath{'}}$=0, it is induced by antiferromagnetic correlations while at ${\mathit{t}}^{\ensuremath{'}}$=-0.35t it is a band structure effect amplified by interactions. Finally, pairing fluctuations are compared with T-matrix results to disentangle the effects of van Hove singularity and of nesting on superconducting correlations. The addition of antiferromagnetic fluctuations increases slightly the d-wave superconducting correlations despite the presence of a van Hove singularity which tends to decrease them in the repulsive model. Some aspects of the phase diagram and some subtleties of finite-size scaling in Monte Carlo simulations, such as inverted finite-size dependence, are also discussed.
Controlling the ordered phases of correlated electron systems remains a central challenge in quantum materials design. Divergences in the electronic density of states, known as Van Hove singularities (VHSs), are one obvious route to such control. It is clear from recent work that the exact functional form of these divergences can profoundly affect which phases are realized; a full picture, however, remains elusive. In this work, we use both the hot-spot parquet renormalization group and the truncated-unity functional renormalization group to theoretically study the emergent correlated states of a two-dimensional square-lattice Hubbard model with VHSs at or near the Fermi level. By varying a single hopping parameter, t3t_3t3​, we are able to change the strength of the VHS divergence in the density of states from logarithmic (for t3<t3ct_3 < t_{3c}t3​<t3c​) to power-law (for t3=t3ct_3 = t_{3c}t3​=t3c​). Further increase of t3t_3t3​ (t3>t3ct_3 > t_{3c}t3​>t3c​) causes each original Van Hove point to split into two, both of the conventional logarithmic type. We show that which of these regimes we are in strongly influences the predicted ordered states. We also study the dependence on doping, and find that the ferromagnetic state that occurs at Van Hove filling in these models is unstable to very small shifts in the Fermi level, often giving way to distinct ordered states depending on whether the model is electron- or hole-doped. These results highlight the importance of tuning VHS properties to control ordered states in correlated materials, and offer design rules to engineer these phases in novel systems.