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Effective Spin Couplings in the Mott Insulator of the Honeycomb Lattice Hubbard Model

Hong-Yu Yang, A. Fabricio Albuquerque, Andreas Martin Läuchli, Kai Phillip Schmidt

Published Aug 15, 2016• 27 citations
OpenAlex

Abstract

Abstract. Motivated by the recent discovery of a spin liquid phase for the Hubbard model on the honeycomb lattice at half-filling [11], we apply both perturbative and non-perturbative techniques to derive effective spin Hamiltonians describing the low-energy physics of the Mott-insulating phase of the system. Exact diagonalizations of the so-derived models on small clusters are performed, in order to assess the quality of the effective low-energy theory in the spin-liquid regime. We show that six-spin interactions on the elementary loop of the honeycomb lattice are the dominant sub-leading effective couplings. A minimal spin model is shown to reproduce most of the energetic properties of the Hubbard model on the honeycomb lattice in its spin-liquid phase. Surprisingly, a more elaborate effective low-energy spin model obtained by a systematic graph expansion rather disagrees beyond a certain point with the numerical results for the Hubbard model at intermediate couplings.

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Abstract. Motivated by the recent discovery of a spin liquid phase for the Hubbard model on the honeycomb lattice at half-filling [11], we apply both perturbative and non-perturbative techniques to derive effective spin Hamiltonians describing the low-energy physics of the Mott-insulating phase of the system. Exact diagonalizations of the so-derived models on small clusters are performed, in order to assess the quality of the effective low-energy theory in the spin-liquid regime. We show that six-spin interactions on the elementary loop of the honeycomb lattice are the dominant sub-leading effective couplings. A minimal spin model is shown to reproduce most of the energetic properties of the Hubbard model on the honeycomb lattice in its spin-liquid phase. Surprisingly, a more elaborate effective low-energy spin model obtained by a systematic graph expansion rather disagrees beyond a certain point with the numerical results for the Hubbard model at intermediate couplings.
Motivated by the recent discovery of a spin-liquid phase for the Hubbard model on the honeycomb lattice at half-filling (Meng et al 2010 Nature 88 487), we apply both perturbative and non-perturbative techniques to derive effective spin Hamiltonians describing the low-energy physics of the Mott-insulating phase of the system. Exact diagonalizations of the so-derived models on small clusters are performed, in order to assess the quality of the effective low-energy theory in the spin-liquid regime. We show that six-spin interactions on the elementary loop of the honeycomb lattice are the dominant sub-leading effective couplings. A minimal spin model is shown to reproduce most of the energetic properties of the Hubbard model on the honeycomb lattice in its spin-liquid phase. Surprisingly, a more elaborate effective low-energy spin model obtained by a systematic graph expansion rather disagrees beyond a certain point with the numerical results for the Hubbard model at intermediate couplings.
The Hubbard model encapsulates the physics of strongly correlated quantum systems in its most basic form. It has been studied intensively in the context of the high-temperature superconductivity. A number of novel phases were recently proposed for Hubbard-like models on the honeycomb lattice, the structure of graphene. We analyzed the Hubbard model of spin- 12\frac{1}{2}21​ fermions on the honeycomb lattice at half-filling using large-scale quantum Monte Carlo simulations. We find that the weak coupling semimetal and the antiferromagnetic Mott insulator at strong interaction are separated by an extended gapped phase in an intermediate coupling regime. Exploring excitation gaps, various correlation functions as well as probing for flux quantization, we conclude that a quantum spin liquid, lacking any conventional order, emerges with local charge and spin correlations, best described by a resonating valence bonds state.
Motivated by recent experiments on the triangular lattice Mott-Hubbard system $\ensuremath{\kappa}\text{\ensuremath{-}}{(\mathrm{BEDT}\text{\ensuremath{-}}\mathrm{TTF})}_{2}{\mathrm{Cu}}_{2}{(\mathrm{C}\mathrm{N})}_{3}$, we develop a general formalism to investigate quantum spin liquid insulators adjacent to the Mott transition in Hubbard models. This formalism, dubbed the SU(2) slave-rotor formulation, is an extension of the SU(2) gauge theory of the Heisenberg model to the case of the Hubbard model. Furthermore, we propose the honeycomb lattice Hubbard model (at half filling) as a candidate for a spin liquid ground state near the Mott transition; this is an appealing possibility, as this model can be studied via quantum Monte Carlo simulation without a sign problem. The pseudospin symmetry of Hubbard models on bipartite lattices turns out to play a crucial role in our analysis, and we develop our formalism primarily for the case of a bipartite lattice. We also sketch its development for a general Hubbard model. We develop a mean-field theory to describe spin liquids and some competing states, and apply it to the honeycomb lattice. On the insulating side of the Mott transition, we find an SU(2) algebraic spin liquid (ASL), described by gapless S=1∕2S=1∕2S=1∕2 Dirac fermions (spinons) coupled to a fluctuating SU(2) gauge field. This result contrasts with that obtained via a U(1) slave-rotor approach, which instead found a U(1) ASL. That formulation does not respect the pseudospin symmetry, and is therefore not correct on the honeycomb lattice. We construct a low-energy effective theory describing the ASL phase, the conducting semimetal phase and the Mott transition between them. This physics can be detected in numerical simulations via the simultaneous presence of substantial antiferromagnetic and valence-bond solid correlations. In the SU(2) ASL, these observables have slowly decaying fluctuations in space and time, described by power laws with the same critical exponent. We recover the results of the U(1) slave-rotor formulation in the presence of a strong breaking of pseudospin symmetry. Our analysis suggests that both a third-neighbor electron hopping, and/or pseudospin-breaking terms such as a nearest-neighbor density interaction, may help to stabilize a spin liquid phase.
Recent numerical work [Z. Y. Meng et al., Nature (London) 464, 847 (2010)] indicates the existence of a spin liquid (SL) phase that intervenes between the antiferromagnetic and semimetallic phases of the half filled Hubbard model on a honeycomb lattice. To better understand the nature of this exotic phase, we study the quantum J(1)-J(2) spin model on the honeycomb lattice, which provides an effective description of the Mott insulating region of the Hubbard model. Employing the variational Monte Carlo approach, we analyze the phase diagram of the model. We find three phases-antiferromagnetic, an unusual Z(2) SL state, and a dimerized state with spontaneously broken rotational symmetry. We identify the Z(2) SL state as the likely candidate for the SL phase of the Hubbard model.
We obtain the phase diagram of the half-filled honeycomb Hubbard model with density matrix embedding theory, to address recent controversy at intermediate couplings. We use clusters from 2--12 sites and lattices at the thermodynamic limit. We identify a paramagnetic insulating state, with possible hexagonal cluster order, competitive with the antiferromagnetic phase at intermediate coupling. However, its stability is strongly cluster and lattice size dependent, explaining controversies in earlier work. Our results support the paramagnetic insulator as being a metastable, rather than a true, intermediate phase, in the thermodynamic limit.
We report the cluster dynamical mean field theory calculations performed for the ground state of the half filled Hubbard model on a honeycomb lattice with exact diagonalization on the cluster-impurity solver. Through using elaborate numerical analytic continuation, we identify the existence of a ``spin liquid'' from the on-site interaction U=0U=0U=0 to Uc{U}_{c}Uc​ (between 4.6t4.6t4.6t and 4.85t4.85t4.85t) with a smooth crossover correspondingly from the charge fluctuation dominating phase into the charge correlation dominating phase. The semimetallic state exits only at U=0U=0U=0. We further find that the magnetic phase transition at Uc{U}_{c}Uc​ from the spin liquid to the N\'eel antiferromagnetic Mott insulating phase is a first-order quantum phase transition. We also show that the charge fluctuation plays a substantial role on keeping the spin liquid phase against the emergence of a magnetic order.