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arXiv:cond-mat/0110138 · Physical review. B, Condensed matter

Spin fluctuations and pseudogap in the two-dimensional half-filled Hubbard model at weak coupling

N. Dupuis

Published Jun 24, 2002• 23 citations
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Abstract

Starting from the Hubbard model in the weak-coupling limit, we derive a spin-fermion model where the collective spin excitations are described by a nonlinear sigma model. This result is used to compute the fermion spectral function $A(\mathbf{k},\ensuremath{\omega})$ in the low-temperature regime where the antiferromagnetic (AF) coherence length is exponentially large (``renormalized classical'' regime). At the Fermi level, $A({\mathbf{k}}_{F},\ensuremath{\omega})$ exhibits two peaks around $\ifmmode\pm\else\textpm\fi{}{\ensuremath{\Delta}}_{0}$ (with ${\ensuremath{\Delta}}_{0}$ the mean-field gap), which are precursors of the zero-temperature AF bands, separated by a pseudogap.

DOI
10.1103/physrevb.65.245118

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Starting from the Hubbard model in the weak-coupling limit, we derive a spin-fermion model where the collective spin excitations are described by a nonlinear sigma model. This result is used to compute the fermion spectral function A(k,\ensuremathω)A(\mathbf{k},\ensuremath{\omega})A(k,\ensuremathω) in the low-temperature regime where the antiferromagnetic (AF) coherence length is exponentially large (``renormalized classical'' regime). At the Fermi level, A(kF,\ensuremathω)A({\mathbf{k}}_{F},\ensuremath{\omega})A(kF​,\ensuremathω) exhibits two peaks around \ifmmode±\else\textpm\fi\ensuremathΔ0\ifmmode\pm\else\textpm\fi{}{\ensuremath{\Delta}}_{0}\ifmmode±\else\textpm\fi\ensuremathΔ0​ (with \ensuremathΔ0{\ensuremath{\Delta}}_{0}\ensuremathΔ0​ the mean-field gap), which are precursors of the zero-temperature AF bands, separated by a pseudogap.
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.
We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperature. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The anomalous behavior in the self-energy is caused by both the strong antiferromagnetic spin fluctuation and the nesting condition on the non-interacting Fermi surface. In the present approximation, we find a logarithmic singularity in the integrand of the imaginary part of the self-energy. Concerning the energy dependence of the spectral function and the self-energy, two theorems are proved. They give a necessary condition in the self-energy to produce the pseudogap at the Fermi level. The pseudogap in the spectral function is highly momentum dependent on the Fermi surface. It opens initially in the (±π,0)(\pm π,0)(±π,0), (0,±π)(0,\pm π)(0,±π) regions as the normal state pseudogap observed in the high-TcT_cTc​ superconductors and if the interaction is increased, it spreads to other Fermi surface sectors. The anisotropy of the pseudogap is produced by the low-energy enhancement of the spin excitation around Q=(π,π){\bf Q}=(π,π)Q=(π,π) and the flatness of the band dispersion around the saddle point.
We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperatures. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The anomalous behavior in the self-energy is caused by both the strong antiferromagnetic spin fluctuation and the nesting condition on the non-interacting Fermi surface. In the present approximation, we find a logarithmic singularity in the integrand of the self-energy imaginary part. The pseudogap in the spectral function is highly momentum dependent on the Fermi surface. This anisotropy of the pseudogap is produced by the flatness of the band dispersion around the saddle point rather than the nesting condition on the Fermi level.
Long-wavelength spin fluctuations prohibit antiferromagnetic long-range order at finite temperature in two dimensions. Nevertheless, the correlation length starts to grow rapidly at a crossover temperature, leading to critical slowing down and to a renormalized-classical regime over a wide range of temperature, between a fraction of the mean-field transition temperature and the zero-temperature ordered state. This leads to a single-particle pseudogap of the kind observed in electron-doped cuprates. Very few theoretical methods can claim an accurate description of this regime. The challenge is that in this regime Fermi-liquid quasiparticles are already destroyed and new quasiparticles of the ordered state are not fully formed yet. Here, we study this problem for the two-dimensional Hubbard model by first generalizing the two-particle self-consistent approach. Using a special algorithm, spin fluctuations are treated in the thermodynamic limit even for large correlation lengths. The effects of Kanamori-Br\"uckner screening, of classical and of quantum fluctuations are taken into account. Results are presented at half filling for the one-band Hubbard model with nearest-neighbor hopping. They agree well with available benchmark diagrammatic quantum Monte Carlo at high temperature where the pseudogap opens up. In addition to temperature-dependent spectral properties, we find quantum corrections to the zero-temperature renormalized mean-field antiferromagnetic gap. Finally, analytic continuation of the Matsubara results for spectral functions show that the pseudogap opens up at significantly higher temperature than was previously identified based on the Matsubara data only.
We compute unbiased spectral functions of the two-dimensional Hubbard model by extrapolating Green functions, obtained from determinantal quantum Monte Carlo simulations, to the thermodynamic and continuous time limits. Our results clearly resolve the pseudogap at weak to intermediate coupling, originating from a momentum selective opening of the charge gap. A characteristic pseudogap temperature T∗{T}^{*}T∗, determined consistently from the spectra and from the momentum dependence of the imaginary-time Green functions, is found to match the dynamical mean-field critical temperature, below which antiferromagnetic fluctuations become dominant. Our results identify a regime where pseudogap physics is within reach of experiments with cold fermions on optical lattices.