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arXiv:1606.01125 · Physical review. B./Physical review. B

Electronic instabilities of the extended Hubbard model on the honeycomb lattice from functional renormalization

Yanick Volpez, Daniel D. Scherer, Michael M. Scherer

Published Oct 5, 2016• 18 citations
arXivHTMLPDF

Abstract

Interacting fermions on the half-filled honeycomb lattice with short-range repulsions have been suggested to host a variety of interesting many-body ground states, e.g., a topological Mott insulator. A number of recent studies of the spinless case in terms of exact diagonalization, the infinite density matrix renormalization group, and the functional renormalization group, however, indicate a suppression of the topological Mott insulating phase in the whole range of interaction parameters. Here, we complement the previous studies by investigating the quantum many-body instabilities of the physically relevant case of spin-1/2 fermions with onsite, nearest-neighbor, and second-nearest-neighbor repulsion. To this end, we employ the multipatch functional renormalization group for correlated fermions with refined momentum resolution observing the emergence of an antiferromagnetic spin-density wave and a charge-density wave for dominating onsite and nearest-neighbor repulsions, respectively. For dominating second-nearest neighbor interaction our results favor an ordering tendency towards a charge-modulated ground state over the topological Mott insulating state. The latter evades a stabilization as the leading instability by the additional onsite interaction.

DOI
10.1103/physrevb.94.165107

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Interacting fermions on the half-filled honeycomb lattice with short-range repulsions have been suggested to host a variety of interesting many-body ground states, e.g., a topological Mott insulator. A number of recent studies of the spinless case in terms of exact diagonalization, the infinite density matrix renormalization group, and the functional renormalization group, however, indicate a suppression of the topological Mott insulating phase in the whole range of interaction parameters. Here, we complement the previous studies by investigating the quantum many-body instabilities of the physically relevant case of spin-1/2 fermions with onsite, nearest-neighbor, and second-nearest-neighbor repulsion. To this end, we employ the multipatch functional renormalization group for correlated fermions with refined momentum resolution observing the emergence of an antiferromagnetic spin-density wave and a charge-density wave for dominating onsite and nearest-neighbor repulsions, respectively. For dominating second-nearest neighbor interaction our results favor an ordering tendency towards a charge-modulated ground state over the topological Mott insulating state. The latter evades a stabilization as the leading instability by the additional onsite interaction.
We investigate the quantum many-body instabilities of the extended Hubbard model for spinless fermions on the honeycomb lattice with repulsive nearest-neighbor and second-nearest-neighbor density-density interactions. Recent exact diagonalization and infinite density matrix renormalization group results suggest that a putative topological Mott insulator phase driven by the second-nearest-neighbor repulsion is suppressed, while other numerically exact approaches support the topological Mott insulator scenario. In the present work, we employ the functional renormalization group (fRG) for correlated fermionic systems. Our fRG results hint at a strong suppression of the scattering processes stabilizing the topological Mott insulator. From analyzing the effects of fermionic fluctuations, we obtain a phase diagram, which is the result of the competition of various charge ordering instabilities.
We investigate the quantum many-body instabilities for electrons on the honeycomb lattice at half filling with extended interactions, motivated by a description of graphene and related materials. We employ a recently developed fermionic functional renormalization group scheme, which allows for highly resolved calculations of wave-vector dependences in the low-energy effective interactions. We encounter the expected anti-ferromagnetic spin density wave for a dominant on-site repulsion between electrons, and charge order with different modulations for dominant pure nth{n}^{\text{th}}nth nearest-neighbor repulsive interactions. Novel instabilities towards incommensurate charge density waves take place when nonlocal density interactions among several bond distances are included simultaneously. Moreover, for more realistic Coulomb potentials in graphene including enough nonlocal terms there is a suppression of charge order due to competition effects between the different charge ordering tendencies, and if the on-site term fails to dominate, the semimetallic state is rendered stable. The possibility of a topological Mott insulator being the favored tendency for dominating second-nearest-neighbor interactions is not realized in our results with high momentum resolution.
Spinless fermions on the honeycomb lattice with repulsive nearest-neighbor interactions are known to harbour a quantum critical point at half-filling, with critical behavior in the Gross-Neveu (chiral Ising) universality class. The critical interaction strength separates a weak-coupling semimetallic regime from a commensurate charge-density-wave phase. The phase diagram of this basic model of correlated fermions on the honeycomb lattice beyond half-filling is, however, less well established. Here, we perform an analysis of its many-body instabilities using the functional renormalization group method with a basic Fermi surface patching scheme, which allows us to treat instabilities in competing channels on equal footing also away from half-filling. Between half-filling and the Van Hove filling, the free Fermi surface is holelike and we again find a charge-density wave instability to be dominant at large interactions. Moreover, its characteristics are those of the half-filled case. Directly at the Van Hove filling, the nesting property of the free Fermi surface stabilizes a dimerized bond-order phase. At lower filling, the free Fermi surface becomes electronlike and a superconducting instability with fff-wave symmetry is found to emerge from the interplay of intra-unit-cell repulsion and collective fluctuations in the proximity to the charge-density wave instability. We estimate the extent of the various phases and extract the corresponding order parameters from the effective low-energy Hamiltonians.
We consider an efficient scheme to simulate fermionic Hubbard models with nonlocal density-density interactions in two dimensions, based on bond-centered auxiliary-field quantum Monte Carlo. The simulations are shown to be sign-problem-free within a finite, restricted parameter range. Using this approach, we first study the Hubbard model on the half-filled square lattice bilayer, including an interlayer repulsion term in addition to the local repulsion, and present the ground-state phase diagram within the accessible parameter region. Starting from the antiferromagnetically ordered state in the absence of interlayer repulsion, the interlayer interactions are found to destabilize the antiferromagnetic order, leading to a band insulator state. Moreover, for sufficiently strong interlayer tunneling, we also observe the emergence of a direct dimer product state of mixed D-Mott and S-Mott character along the equal coupling line. We discuss the stability range of this state within strong-coupling perturbation theory. Furthermore, we consider the Hubbard model on the honeycomb lattice with next-nearest-neighbor interactions. Such an interaction is found to enhance both charge density and spin-current correlations within the semimetallic region. However, inside the accessible parameter region, they do not stabilize long-ranged charge density wave order nor a quantum spin Hall state, and the only insulating state that we observe exhibits long-range antiferromagnetism.
We consider extended Hubbard models with repulsive interactions on a honeycomb lattice, and the transitions from the semimetal to Mott insulating phases at half-filling. Because of the frustrated nature of the second-neighbor interactions, topological Mott phases displaying the quantum Hall and the quantum spin Hall effects are found for spinless and spin fermion models, respectively. The mean-field phase diagram is presented and the fluctuations are treated within the random phase approximation. Renormalization group analysis shows that these states can be favored over the topologically trivial Mott insulating states.
Many-body instabilities of the half-filled honeycomb bilayer are studied using weak-coupling renormalization group (RG) as well as strong-coupling expansion. For spinless fermions and assuming parabolic degeneracy, there are four independent four-fermion contact couplings. While the dominant instability depends on the microscopic values of the couplings, the broken symmetry state is typically a gapped insulator with either broken inversion symmetry or broken time-reversal symmetry, with a quantized anomalous Hall effect. Under certain conditions, the dominant instability may appear in the particle-particle (pairing) channel. For some nongeneric fine-tuned initial conditions, weak-coupling RG trajectories flow into the noninteracting fixed point, although generally we find runaway flows which we associate with ordering tendencies. Additionally, a tight-binding model with nearest-neighbor hopping and nearest-neighbor repulsion is studied in weak and strong couplings and in each regime a gapped phase with inversion symmetry breaking is found. In the strong-coupling limit, the ground-state wave function is constructed for vanishing in-plane hopping but finite interplane hopping, which explicitly displays the broken inversion symmetry and a finite difference between the number of particles on the two layers. Finally, we discuss the spin-1/2 case and use Fierz identities to show that the number of independent four-fermion contact couplings is 9. The corresponding RG equations in the spin-1/2 case are also presented, and used to show that, just as in strong coupling, the most dominant weak-coupling instability of the repulsive Hubbard model (at half filling) is an antiferromagnet.