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arXiv:1907.01748 · Physical review. B./Physical review. B

Slater and Mott insulating states in the SU(6) Hubbard model

Da Wang, Lei Wang, Congjun Wu

Published Sep 26, 2019• 16 citations
arXivHTMLPDF

Abstract

We perform large-scale projector determinant quantum Monte Carlo simulations to study the insulating states of the half-filled SU(6) Hubbard model on the square lattice. The transition from the antiferromagnetic state to the valence bond solid state occurs as increasing the Hubbard $U$. In contrast, in the SU(2) and SU(4) cases antiferromagnetism persists throughout the entire interaction range. In the SU(6) case, antiferromagnetism starts to develop in the weak interacting regime based on the Slater mechanism of Fermi surface nesting. As $U$ passes a crossover value ${U}^{*}/t\ensuremath{\approx}9$, the single-particle gap scales linearly with $U$, marking the onset of Mott physics. In the Mott regime, antiferromagnetism becomes to be suppressed as $U$ increases and vanishes after $U$ passes the critical value ${U}_{\mathrm{AF},\mathrm{c}}/t=13.3\ifmmode\pm\else\textpm\fi{}0.05$. The critical exponents are obtained via critical scalings as ${\ensuremath{\nu}}_{\mathrm{AF}}=0.60\ifmmode\pm\else\textpm\fi{}0.02$ and ${\ensuremath{\eta}}_{\mathrm{AF}}=0.44\ifmmode\pm\else\textpm\fi{}0.03$. As $U$ further increases, the valence bond solid ordering appears exhibiting the anomalous dimension ${\ensuremath{\eta}}_{\mathrm{VBS}}=0.98\ifmmode\pm\else\textpm\fi{}0.01$.

DOI
10.1103/physrevb.100.115155

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We employ the determinant projector quantum Monte Carlo method to investigate the ground-state magnetic properties in the Mott insulating states of the half-filled SU(4)SU(4)SU(4) and SU(6)SU(6)SU(6) Fermi-Hubbard model in the two-dimensional square lattice, which is free of the sign problem. The long-range antiferromagnetic Neel order is found for the SU(4)SU(4)SU(4) case with a small residual Neel moment. Quantum fluctuations are even stronger in the SU(6)SU(6)SU(6) case. Numeric results are consistent with either a vanishing or even weaker Neel ordering than that of SU(4)SU(4)SU(4).
We employ the large-scale quantum Monte Carlo simulations to investigate the Mott-insulating states of the half-filled SU(4) Hubbard model on the square lattice with a staggered-flux pattern. The noninteracting band structure that evolves from a nested Fermi surface at zero flux to isotropic Dirac cones at $\ensuremath{\pi}$ flux, exhibits anisotropic Dirac cones as the flux varies in between. Our simulations show transitions between the three phases of the Dirac semimetal, antiferromagnet, and valence-bond solid. A direct continuous transition between the antiferromagnetic phase and the valence-bond-solid phase is realized via varying the flux in the Mott regime. The simulated critical exponents remarkably agree with those of SU(4) $J\text{\ensuremath{-}}Q$ model. Inside the valence-bond-solid phase induced by the flux, the plaquette valence-bond state with vanishing single-particle gap is identified. At strong coupling, the valence-bond-solid phase disappears and the Mott-insulating state is always accompanied by antiferromagnetic ordering, regardless of the magnitude of the flux.
The interplay between charge and spin degrees of freedom in strongly correlated fermionic systems, in particular of Dirac fermions, is a long-standing problem in condensed matter physics. We investigate the competing orders in the half-filled SU(2N)\mathrm{SU}(2N)SU(2N) Hubbard model on a honeycomb lattice, which can be accurately realized in optical lattices with ultracold large-spin alkaline-earth fermions. Employing large-scale projector determinant quantum Monte Carlo simulations, we have explored quantum phase transitions from the gapless Dirac semimetals to the gapped Mott insulating phases in the SU(4) and SU(6) cases. Both of these Mott insulating states are found to be columnar valence bond solid (cVBS) and to be absent of the antiferromagnetic N\'eel ordering and the loop current ordering. Inside the cVBS phases, the dimer ordering is enhanced by increasing fermion components and behaves nonmonotonically as the interaction strength increases. Although the transitions generally should be of first order due to a cubic invariance possessed by the cVBS order, the coupling to gapless Dirac fermions can soften the transitions to second order through a nonanalytic term in the free energy. Our simulations provide important guidance for the experimental explorations of novel states of matter with ultracold alkaline-earth fermions.
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How superconductivity emerges in the vicinity of an antiferromagnetic insulating state is a long-standing issue of strong correlation physics. We study the transition from an antiferromagnetic insulator to a superconductor by hole doping based on a bilayer generalization of a Hubbard model. The projector quantum Monte Carlo simulations are employed, which are sign problem free both at and away from half filling. An anisotropic Ising antiferromagnetic Mott insulating phase occurs at half filling, which is weakened by hole doping. Below a critical doping value, antiferromagnetism coexists with the singlet superconductivity, which is a pairing across each rung with an extended sss-wave symmetry. As doping further increases, the antiferromagnetic order vanishes, leaving only a superconducting phase. These results provide important information on how superconductivity appears upon doping the parent Mott-insulating state.
Employing the projective formalism of determinant quantum Monte Carlo (DQMC) simulations, we meticulously explore the ground-state phase diagram and critical behavior of the half-filled Hubbard model on a square-hexagon-octagon (SHO) lattice. This lattice, a two-dimensional (2D) structure comprising squares, hexagons, and octagons, is representative of the biphenylene network (BPN). Our findings reveal an intriguing ground-state phase diagram, featuring an antiferromagnetic (AFM) Mott insulating phase enveloped by three valence-bond-solid-like (VBS-like) insulating phases. Analyzing the single-particle gap, spin gap, and single-particle spectral function, we observe that the metallic state in the noninteracting case becomes unstable under the influence of Hubbard UUU. This interaction drives the system into a hexagon insulating phase before transitioning into an AFM Mott insulating phase. To quantify the critical exponents, we use finite-size scaling techniques. The critical exponents of quantum critical points between the AFM Mott insulating phase and two insulating phases, plaquette insulator, and ethylene insulator, closely align with the 3D O(3) universality class. However, the critical exponents of quantum critical points between the hexagon insulating phase and the AFM Mott insulating phase deviate from the 3D O(3) universality class. This deviation can be attributed to the coupling effect between the fluctuations of magnetic order parameters and very low-energy fermionic excitations. Our comprehensive study not only advances the understanding of correlation effects on the SHO lattice but also sheds light on the less-explored critical exponents in a weakly insulating quantum critical point.