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arXiv:1606.06814 · Physical review. B./Physical review. B

Ground-state phase diagram of the triangular lattice Hubbard model by the density-matrix renormalization group method

Tomonori Shirakawa, Takami Tohyama, J. Kokalj, S. Sota, Seiji Yunoki

Published Nov 15, 2017• 88 citations
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Abstract

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 $U$ at ${U}_{\mathrm{c}1}\ensuremath{\sim}7.8t$ and ${U}_{\mathrm{c}2}\ensuremath{\sim}9.9t$ ($t$ 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 $U>{U}_{\mathrm{c}2}$, 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 ${U}_{\mathrm{c}1}<U<{U}_{\mathrm{c}2}$, 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 $\mathrm{K}$ 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 $U$ and thus the superconductivity is unlikely in the intermediate phase.

DOI
10.1103/physrevb.96.205130

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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 Uc1\ensuremath∼7.8t{U}_{\mathrm{c}1}\ensuremath{\sim}7.8tUc1​\ensuremath∼7.8t and Uc2\ensuremath∼9.9t{U}_{\mathrm{c}2}\ensuremath{\sim}9.9tUc2​\ensuremath∼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≤U<Uc10\ensuremath{\le}U<{U}_{\mathrm{c}1}0\ensuremath≤U<Uc1​ 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∘{120}^{\ensuremath{\circ}}120\ensuremath∘ N'eel-ordered state realized in the limit of U\ensuremath→\ensuremath∞U\ensuremath{\rightarrow}\ensuremath{\infty}U\ensuremath→\ensuremath∞. 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 K\ensuremath′{\mathrm{K}}^{\ensuremath{'}}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.
Motivated by experimental studies that have found signatures of a quantum spin liquid phase in organic crystals whose structure is well described by the two-dimensional triangular lattice, we study the Hubbard model on this lattice at half filling using the infinite-system density matrix renormalization group (iDMRG) method. On infinite cylinders with finite circumference, we identify an intermediate phase between observed metallic behavior at low interaction strength and Mott insulating spin-ordered behavior at strong interactions. Chiral ordering from spontaneous breaking of time-reversal symmetry, a fractionally quantized spin Hall response, and characteristic level statistics in the entanglement spectrum in the intermediate phase provide strong evidence for the existence of a chiral spin liquid in the full two-dimensional limit of the model.
A chiral spin liquid (CSL) phase has been recently reported in the Hubbard model on a triangular lattice. It emerges in an intermediate coupling regime at half-filling, which is sandwiched between a ${120}^{\ensuremath{\circ}}$ antiferromagnetic (AFM) phase and a metallic phase as a function of on-site repulsion UUU. In this work, we examine the mechanism of the CSL and complex phase diagram via analytic analysis and numerical density matrix renormalization group (DMRG) method. First, we identify an exact Berry-phase-like sign structure in the partition function of the model at arbitrary UUU, which is originated from the Fermi sign structure at U=0U=0U=0.The spin and charge degrees of freedom are generally entangled via a singular phase string in such a many-body sign structure. In the large-UUU limit, the suppression of the charge fluctuation at half-filling can render the phase string ineffective, resulting in the AFM order. However, if one precisely switches off such a phase string in the DMRG calculation, the ${120}^{\ensuremath{\circ}}$ AFM is shown to survive all the way down to a much weaker UUU without the emergence of the CSL and metallic phases. It indicates that the phase-string sign structure plays the key role to mediate the mutual interaction between the charge and spin fluctuations, which results in the CSL and metallic phases at finite UUU. General implications for the Mott physics in the Hubbard model will also be discussed.
In a recent study [Phys. Rev. X 10, 021042 (2020)], we showed using large-scale density matrix renormalization group (DMRG) simulations on infinite cylinders that the triangular lattice Hubbard model has a chiral spin liquid phase. In this work, we introduce hopping anisotropy in the model, making one of the three distinct bonds on the lattice stronger or weaker compared with the other two. We implement the anisotropy in two inequivalent ways, one which respects the mirror symmetry of the cylinder and one which breaks this symmetry. In the full range of anisotropy, from the square lattice to weakly coupled one-dimensional chains, we find a variety of phases. Near the isotropic limit we find the three phases identified in our previous work: metal, chiral spin liquid, and ${120}^{\ensuremath{\circ}}$ spiral order; we note that a recent paper suggests the apparently metallic phase may actually be a Luther-Emery liquid, which would also be in agreement with our results. When one bond is weakened by a relatively small amount, the ground state quickly becomes the square lattice N\'eel order. When one bond is strengthened, the story is much less clear, with the phases that we find depending on the orientation of the anisotropy and on the cylinder circumference. While our work is to our knowledge the first DMRG study of the anisotropic triangular lattice Hubbard model, the overall phase diagram we find is broadly consistent with that found previously using other methods, such as variational Monte Carlo and dynamical mean field theory.
We use unrestricted Hartree-Fock, density matrix renormalization group, and variational projected entangled-pair state calculations to investigate the ground-state phase diagram of the triangular-lattice Hubbard model at “half doping” relative to single occupancy, i.e., at fillings of ( 1 ± 1 2 ) electrons per site. The electron-doped case has a nested Fermi surface in the noninteracting limit, and hence a weak-coupling instability toward density-wave orders whose wave vectors are determined by Fermi-surface nesting conditions. We find that at moderate-to-strong interaction strengths, other spatially modulated orders arise, with wave vectors distinct from the nesting vectors. In particular, we identify a series of closely competing, itinerant long-wavelength magnetically ordered states, yielding to uniform ferromagnetic order at the largest interaction strengths. For half-hole doping and a similar range of interaction strengths, our data indicate that magnetic orders are most likely absent.
A chiral spin liquid (CSL) phase has been recently reported in the Hubbard model on a triangular lattice at half-filling. It emerges in an intermediate coupling regime, which is sandwiched between a 120∘120^\circ120∘ antiferromagnetic (AFM) phase and a metallic phase as a function of on-site repulsion UUU. In this work, we examine how the charge fluctuation may cause the CSL and complex phase diagram. We first identify an exact sign structure of the model at arbitrary temperature, sample size, and doping, which is reduced from the original Fermi exchange signs of the electrons by finite UUU. In particular, the spin and charge degrees of freedom are generally entangled via the phase-string in the sign structure. By precisely switching off such a phase-string, the CSL phase is shown to disappear, with only the 120∘120^\circ120∘ AFM order remaining down to weak UUU by a density matrix renormalization group calculation. Here the charge fluctuation is effectively decoupled from the AFM background, which is a 120∘120^\circ120∘ AFM order due to a geometric Berry phase in the sign structure of the triangular lattice. General implications for the Mott physics will also be discussed.
We show that the spin-liquid phase of the half-filled Hubbard model on the triangular lattice can be described by a pure spin model. This is based on a high-order strong coupling expansion (up to order 12) using perturbative continuous unitary transformations. The resulting spin model is consistent with a transition from three-sublattice long-range magnetic order to an insulating spin-liquid phase, and with a jump of the double occupancy at the transition. Exact diagonalizations of both models show that the effective spin model is quantitatively accurate well into the spin-liquid phase, and a comparison with the Gutzwiller projected Fermi sea suggests a gapless spectrum and a spinon Fermi surface.