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arXiv:2209.00664 · Physical review. B./Physical review. B

Triangular lattice Hubbard model physics at intermediate temperatures

Kyungmin Lee, P. A. Sharma, Oskar Vafek, Hitesh J. Changlani

Published Jun 2, 2023• 36 citations
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Abstract

Moir\'e systems offer an exciting playground to study the many-body effects of strongly correlated electrons in regimes that are not easily accessible in conventional material settings. Motivated by a recent experiment on ${\text{WSe}}_{2}/{\text{WS}}_{2}$ moir\'e bilayers [Y. Tang et al., Nature (London) 579, 353 (2020)], which realized a triangular superlattice with a small hopping (of approximately 10 Kelvin), with tunable density of holes, we explore the Hubbard model on the triangular lattice for intermediate temperatures $t\ensuremath{\lesssim}T<U$. Employing finite-temperature Lanczos calculations and closely following the fitting protocols used in the experiment, we recover the observed trends in the reported Curie-Weiss temperature $\mathrm{\ensuremath{\Theta}}$ with filling, using the reported interaction strength $U/t=20$. We focus on the large increase of $|\mathrm{\ensuremath{\Theta}}|$ on decreasing the density below half filling and the sign change of $\mathrm{\ensuremath{\Theta}}$ at higher fillings, which signals the onset of ferromagnetism. The increase in $|\mathrm{\ensuremath{\Theta}}|$ is also seen in the $t\ensuremath{-}J$ model (the low-energy limit of the Hubbard model) in the intermediate temperature range, which we clarify is opposite to the trend in its high temperature limit. Differences between the low, intermediate, and high temperature regimes are discussed. Our numerical calculations also capture the crossover between short-range antiferromagnetic to ferromagnetic order in the intermediate temperature regime, a result broadly consistent with the experimental findings. We find that this behavior is a finite-temperature remnant of the underlying zero-temperature phase transition, which we explore with ground-state density matrix renormalization group calculations. We provide evidence of ferromagnetism characterized by weak (but robust) correlations that explain the small $\mathrm{\ensuremath{\Theta}}$ seen in the experiment.

DOI
10.1103/physrevb.107.235105

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Two-dimensional density-matrix renormalization group method is employed to examine the ground-state phase diagram of the Hubbard model on the triangular lattice at half-filling. The calculation reveals two discontinuities in the double occupancy with increasing the repulsive Hubbard interaction UUU at ${U}_{\mathrm{c}1}\ensuremath{\sim}7.8t$ and ${U}_{\mathrm{c}2}\ensuremath{\sim}9.9t$ (ttt being the hopping integral), indicating that there are three phases separated by first-order transitions. The absence of any singularity in physical quantities for $0\ensuremath{\le}U<{U}_{\mathrm{c}1}$ implies a metallic phase in this regime. For U>Uc2U>{U}_{\mathrm{c}2}U>Uc2​, the local spin density induced by an applied pinning magnetic field exhibits a three sublattice feature, which is compatible with the ${120}^{\ensuremath{\circ}}$ N\'eel-ordered state realized in the limit of $U\ensuremath{\rightarrow}\ensuremath{\infty}$. For Uc1<U<Uc2{U}_{\mathrm{c}1}<U<{U}_{\mathrm{c}2}Uc1​<U<Uc2​, a response to the applied pinning magnetic field is comparable to that in the metallic phase with a relatively large spin correlation length, but showing neither valence bond nor chiral magnetic order, which therefore resembles gapless spin liquid. However, the spin structure factor for the intermediate phase exhibits the maximum at the K\mathrm{K}K and ${\mathrm{K}}^{\ensuremath{'}}$ points in the momentum space, which is not compatible to spin liquid with a large spinon Fermi surface. The calculation also finds that the pairing correlation function monotonically decreases with increasing UUU and thus the superconductivity is unlikely in the intermediate phase.
Recent experimental progress has established the twisted bilayer transition metal dichalcogenide (TMD) as a highly tunable platform for studying many-body physics. Particularly, the homobilayer TMDs under displacement field are believed to be described by a generalized triangular-lattice Hubbard model with a spin-dependent hopping phase $\ensuremath{\theta}$. To explore the effects of $\ensuremath{\theta}$ on the system, we perform density matrix renormalization group calculations for the relevant triangular lattice t-J model. By changing $\ensuremath{\theta}$ at small hole doping, we obtain a region of quasi-long-range superconducting order coexisting with charge and spin density wave within $0<\ensuremath{\theta}<\ensuremath{\pi}/3$. The superconductivity is composed of a dominant spin singlet ddd-wave and a subdominant triplet ppp-wave pairing. Intriguingly, the ${S}_{z}=\ifmmode\pm\else\textpm\fi{}1$ triplet pairing components feature pair-density waves. In addition, we find a region of triplet superconductivity coexisting with charge-density wave and ferromagnetism within $\ensuremath{\pi}/3<\ensuremath{\theta}<2\ensuremath{\pi}/3$, which is related to the former phase at smaller $\ensuremath{\theta}$ by a combined operation of spin-flip and gauge transformation. Our findings provide insights and directions for experimental search for exotic superconductivity in twisted TMD systems.
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.
Twisted transition metal dichalcogenides offer an exceptionally tunable moiré platform for studying correlation physics beyond conventional condensed matter systems. In particular, the intriguing interplay between the displacement field and the twist angle remains to be fully resolved. In this paper, we use large-scale density matrix renormalization group simulations to study the minimal moiré Hubbard model on a triangular lattice at half-filling, where the displacement field effect is captured by a spin-dependent staggered flux. We find that the displacement field significantly enriches the triangular Hubbard phase diagram in several qualitative ways. It rapidly destabilizes the chiral spin liquid phase beyond a narrow weak-field regime, induces pronounced chiral correlations in the strong-coupling 120∘120^\circ120∘-antiferromagnetic phase, and stabilizes incommensurate spin-density wave phases at weaker coupling. We further find signatures of a continuous transition between the chiral spin liquid and chiral antiferromagnetic phases at a finite displacement field, potentially driven by spinon condensation. Our results uncover rich displacement-field-driven many-body physics and provide useful guidance for future experiments in moiré superlattice systems.