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arXiv:0811.0248 · Physical Review B

Néel order in the Hubbard model within a spin-charge rotating reference frame approach: Crossover from weak to strong coupling

T. A. Zaleski, T. K. Kopeć

Published Mar 14, 2008• 14 citations
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Abstract

The antiferromagnetic phase of two-dimensional (2D) and three-dimensional (3D) Hubbard model with nearest neighbor hopping is studied on a bipartite cubic lattice by means of the quantum $\mathrm{SU}(2)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)$ rotor approach that yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of the model and satisfy the Mermin-Wagner theorem. The collective variables for charge and spin are isolated in the form of the space-time fluctuating U(1) phase field and rotating spin-quantization axis governed by the SU(2) symmetry, respectively. As a result interacting electrons appear as composite objects consisting of bare fermions with attached U(1) and SU(2) gauge fields. An effective action consisting of a spin-charge rotor and a fermionic field is derived as a function of the Coulomb repulsion $U$ and hopping parameter $t$. At zero temperature, our theory describes the evolution from a Slater $(U⪡t)$ to a Mott-Heisenberg $(U⪢t)$ antiferromagnet. The results for zero-temperature sublatice magnetization (2D) and finite temperature (3D) phase diagram of the antiferromagnetic Hubbard model as a function of the crossover parameter $U∕t$ are presented and the role of the spin Berry phase in the interaction driven crossover is analyzed.

DOI
10.1103/physrevb.77.125120

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The antiferromagnetic phase of two-dimensional (2D) and three-dimensional (3D) Hubbard model with nearest neighbor hopping is studied on a bipartite cubic lattice by means of the quantum SU(2)\ifmmode×\else\texttimes\fiU(1)\mathrm{SU}(2)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)SU(2)\ifmmode×\else\texttimes\fiU(1) rotor approach that yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of the model and satisfy the Mermin-Wagner theorem. The collective variables for charge and spin are isolated in the form of the space-time fluctuating U(1) phase field and rotating spin-quantization axis governed by the SU(2) symmetry, respectively. As a result interacting electrons appear as composite objects consisting of bare fermions with attached U(1) and SU(2) gauge fields. An effective action consisting of a spin-charge rotor and a fermionic field is derived as a function of the Coulomb repulsion UUU and hopping parameter ttt. At zero temperature, our theory describes the evolution from a Slater (U⪡t)(U⪡t)(U⪡t) to a Mott-Heisenberg (U⪢t)(U⪢t)(U⪢t) antiferromagnet. The results for zero-temperature sublatice magnetization (2D) and finite temperature (3D) phase diagram of the antiferromagnetic Hubbard model as a function of the crossover parameter U∕tU∕tU∕t are presented and the role of the spin Berry phase in the interaction driven crossover is analyzed.
We study the antiferromagnetic phase of three-dimensional Hubbard model with nearest neighbors hopping on a bipartite cubic lattice.We use the quantum SU(2)×U(1) rotor approach that yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of the model and satisfies the Mermin-Wagner theorem.As our theory describes the evolution from a Slater (U t) to a Mott-Heisenberg (U t) antiferromagnet, we present the phase diagram of the antiferromagnetic Hubbard model as a function of the crossover parameter U/t.
Abstract We study the antiferromagnetic phase of the three‐dimensional (3D) Hubbard model with nearest‐neighbor hopping on a bipartite cubic lattice. We use the quantum SU(2) × U(1) rotor approach that yields a fully self‐consistent treatment of the antiferromagnetic state that respects the symmetry properties of the model and satisfies the Mermin–Wagner theorem. As our theory describes the evolution from a Slater (U ≪ t) to a Mott–Heisenberg (U ≫ t) antiferromagnet, we present the phase diagram of the antiferromagnetic Hubbard model as a function of the crossover parameter U/t.
We have investigated the antiferromagnetic phase of two-dimensional (2D), three-dimensional (3D), and extended Hubbard models on a bipartite cubic lattice by means of the composite operator method within a two-pole approximation. This approach yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of both the model and the algebra. The complete phase diagram, as regards the antiferromagnetic and paramagnetic phases, has been drawn. We first reported, within a pole approximation, three kinds of transitions at half-filling: Mott-Hubbard, Mott-Heisenberg, and Heisenberg transitions. We have also found a metal-insulator transition, driven by doping, within the antiferromagnetic phase. This latter is restricted to a very small region near half-filling, and has, in contrast to what has been found by similar approaches, a finite critical Coulomb interaction as a lower bound at half-filling. Finally, it is worth noting that our antiferromagnetic gap has two independent components: one due to the antiferromagnetic correlations, and another coming from the Mott-Hubbard mechanism.
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.
We study the spin and charge fluctuations of the extended Hubbard model with on-site interaction UUU and first neighbor interaction VVV on the two-dimensional square lattice in the weak to intermediate coupling regime. We propose an extension of the two-particle self-consistent approximation that includes the effect of functional derivatives of the pair-correlation functions on irreducible spin and charge vertices. These functional derivatives were ignored in our previous work. We evaluate them assuming particle-hole symmetry. The resulting theory satisfies conservation laws and the Mermin-Wagner theorem. Our current results are in much better agreement with benchmark quantum Monte Carlo results. This theory allows us to reliably determine the crossover temperatures toward renormalized-classical regimes, and hence, the dominant instability as a function of UUU and VVV. We have considered fillings n=1n=1n=1 and n=0.75n=0.75n=0.75. Either spin or charge fluctuations can dominate. The wave vector is self-determined by the approach.
We describe a low-temperature approach to the two-dimensional half-filled Hubbard model which allows us to study both antiferromagnetism and single-particle properties. This approach ignores amplitude fluctuations of the antiferromagnetic (AF) order parameter and is valid below a crossover temperature TX{T}_{X}TX​ which marks the onset of AF short-range order. Directional fluctuations (spin waves) are described by a nonlinear sigma model $(\mathrm{NL}\ensuremath{\sigma}\mathrm{M})$ that we derive from the Hubbard model. The parameters of the $\mathrm{NL}\ensuremath{\sigma}\mathrm{M}$---the spin stiffness and spin-wave velocity---are calculated as a function of the Coulomb repulsion U. The $\mathrm{NL}\ensuremath{\sigma}\mathrm{M}$ is solved by a saddle-point approximation within the CP1{\mathrm{CP}}^{1}CP1 representation where the N\'eel field is parametrized by two Schwinger bosons. At zero temperature, there is always Bose condensation of the Schwinger bosons, which signals AF long-range order for any value of the Coulomb repulsion. At finite temperature, the AF long-range order is suppressed (in agreement with the Mermin-Wagner theorem), but the AF correlation length remains exponentially large. In the CP1{\mathrm{CP}}^{1}CP1 representation, the fermion field is naturally expressed as the product of a Schwinger boson and a pseudofermion whose spin is quantized along the (fluctuating) N\'eel field. This allows us to write the fermion Green's function as the product (in direct space) of the Schwinger boson propagator (which is derived from the $\mathrm{NL}\ensuremath{\sigma}\mathrm{M})$ and the pseudofermion propagator. At zero temperature and weak coupling, our results are typical of a Slater antiferromagnet. The AF gap is exponentially small; there are well-defined Bogoliubov quasiparticles (QP's) (carrying most of the spectral weight) coexisting with a high-energy incoherent excitation background. As U increases, the Slater antiferromagnet progressively becomes a Mott-Heisenberg antiferromagnet. The Bogoliubov bands evolve into Mott-Hubbard bands separated by a large AF gap. A significant fraction of spectral weight is transferred from the Bogoliubov QP's to incoherent excitations. At finite temperature, there is a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling. Finally, we point out that our results straightforwardly translate to the half-filled attractive Hubbard model, where the $\mathbf{q}=(\ensuremath{\pi},\ensuremath{\pi})$ charge and q=0\mathbf{q}=0q=0 pairing fluctuations combine to form an order parameter with SO(3) symmetry.