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arXiv:cond-mat/9512083 · Philosophical Magazine B

Low-energy excitations in an incipient antiferromagnet

D. W. Hess, J. J. Deisz, Joseph W. Serene

Published Nov 1, 1996• 8 citations
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Abstract

We present fully self-consistent calculations in the fluctuation exchange approximation for the half-filled Hubbard model in two dimensions. A non-Fermi-liquid state evolves with decreasing temperature in this self-consistent model of coupled spin fluctuations and quasiparticles. The mean-field phase transition to long-range antiferromagnetic order is suppressed and we find no evidence of a phase transition to long-range magnetic order. We show that the real part of the self-energy at zero energy shows a positive slope and the imaginary part of the self-energy shows a local minimum. The scale of this structure is set by the zero-temperature gap in mean-field theory. The growth of spin fluctuations is reflected in the evolution of sharply peaked structure in the spin fluctuation propagator around zero energy and Q = (π, π). We present calculations for the Hubbard model in one dimension in a two-particle self-consistent parquet approximation. A second-moment sum rule suggests that vertex corrections to the self-energy are responsible for the greater accuracy of the parquet approximation compared with other self-consistent perturbation theories.

DOI
10.1080/01418639608240348

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We present fully self-consistent calculations in the fluctuation exchange approximation for the half-filled Hubbard model in two dimensions. A non-Fermi-liquid state evolves with decreasing temperature in this self-consistent model of coupled spin fluctuations and quasiparticles. The mean-field phase transition to long-range antiferromagnetic order is suppressed and we find no evidence of a phase transition to long-range magnetic order. We show that the real part of the self-energy at zero energy shows a positive slope and the imaginary part of the self-energy shows a local minimum. The scale of this structure is set by the zero-temperature gap in mean-field theory. The growth of spin fluctuations is reflected in the evolution of sharply peaked structure in the spin fluctuation propagator around zero energy and Q = (π, π). We present calculations for the Hubbard model in one dimension in a two-particle self-consistent parquet approximation. A second-moment sum rule suggests that vertex corrections to the self-energy are responsible for the greater accuracy of the parquet approximation compared with other self-consistent perturbation theories.
We present single-particle and thermodynamic properties of the half-filled single-band Hubbard model in 2D calculated in the self-consistent fluctuation exchange approximation. The low-energy excitations at moderate temperatures and small UUU are quasiparticles with a short lifetime. As the temperature is lowered, coupling to evolving spin fluctuations leads to the extinction of these quasiparticles, signaled by a weak pseudogap in the density of states and by a positive slope in $\mathrm{Re}\ensuremath{\Sigma}({\mathbf{k}}_{F},\ensuremath{\varepsilon})$ and a local maximum in $|\mathrm{Im}\ensuremath{\Sigma}({\mathbf{k}}_{F},\ensuremath{\varepsilon})|$ at $\ensuremath{\varepsilon}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0$. We explain these results using a simple spin-fluctuation model.
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 study the low-temperature critical behavior of the one-dimensional Hubbard model near half filling caused by enhanced antiferromagnetic fluctuations. We use a mean-field-type approximation with a two-particle self-consistency renormalizing the bare interaction. It allows us to control a transition from high to low temperatures as well as from weak to strong-coupling. We show that there is a crossover temperature T0 = t exp{−1/Uρ(0)} for arbitrary interaction U > 0 and the bare density of states at the Fermi energy ρ(0) > 0. The solution at lower temperatures goes over to strong coupling and approaches a quantum critical point with the diverging staggered susceptibility and a gap in the excitation spectrum at zero temperature.
Away from half filling and above its Neel temperature, the three-dimensional Hubbard model is a paramagnetic metal with antiferromagnetic spin fluctuations, where controlled momentum-resolved results have been lacking. Using connected-determinant diagrammatic Monte Carlo, we compute the momentum-resolved self-energy for n = 0.4-0.95, T/t = 0.05-0.33 and U/t = 4-8, and the full-zone spin susceptibility at twelve of these points, focusing on U/t = 4. At U/t = 4 and toward half filling the spin fluctuations become strong: for n = 0.7-0.9 at T/t = 0.14 they enhance the susceptibility peak up to sevenfold and raise the momentum-dependent part of the scattering rate to four to five times its second-order value. They are driven by an effective spin interaction screened to about 2U/3 and nearly uniform over the zone. Yet the peak height is set by the slightly smaller value of this interaction at the peak wave vector, and near magnetic order this small difference changes the height by a large factor. Two-particle self-consistent theory reproduces the peak because its sum rule fixes its single constant interaction near this value, but for n = 0.7-0.9 at T/t = 0.14 its self-energy overestimates the local scattering rate and underestimates the momentum-dependent part. Though strong, the fluctuations are short ranged, with a correlation length of at most about two lattice spacings, and for n = 0.7-0.9 and T/t >= 0.14 the scattering rate near the Fermi surface varies by at most about 1% at fixed band energy, without hot spots. At U/t = 4 dynamical mean-field theory (DMFT) reproduces the local scattering rate and quasiparticle weight within a few percent, and the nonlocal part it misses is approximately a function of the band energy. Strong spin fluctuations thus coexist with nearly isotropic quasiparticles, and the results provide a benchmark for extensions of DMFT and for spin-fluctuation theories.
We present an analytic solution of the self consistent random phase approximation equations for the half-filled Hubbard model, in the strong coupling limit. In the half-filled limit the Hubbard model shows antiferromagnetic ordering. The self energy is calculated by considering processes whereby the electrons emit and absorb low frequency spin waves, which are the Goldstone modes of the broken symmetry phase. We examine the electronic spectrum, which is dominated by the broad incoherent portions of the spectrum associated with the upper and lower Hubbard bands. The quasi-particle spectrum has a divergent wave function renormalization, indicating a divergent renormalization of the quasi-particle mass and zero quasi-particle weight, as in a non-Fermi liquid. The self consistency equation determined from the Goldstone modes in the susceptibility shows that the antiferromagnetism is prohibited in one and two dimensions but not in three. The magnetic ordering temperature is determined by dimensionality and the magnitude of the Anderson kinetic exchange of the effective Heisenberg Hamiltonian.
We study the finite-temperature Fermi-liquid to non-Fermi-liquid crossover in the two-dimensional Hubbard model for a range of dopings using the self-consistent ladder dual fermion method. We consider relatively high temperatures where by comparing the single-particle self-energy and the two-particle spin susceptibility we identify a suppression of the density of states near the Fermi level caused by a quasi-antiferromagnetic behavior that is itself characterized by a long, but finite, correlation length scale which we extract. We compute the single-particle self-energy, and the charge/spin susceptibilities for the entire doping range at relatively high temperature, and also for the half-filled weak-coupling case at relatively low temperatures. We perform fluctuation diagnostics to decompose the single-particle self-energy into scattering qqq-vector and bosonic frequency contributions in the spin channel. Within this framework we find that the key contributions to the single-particle self-energy that give non-Fermi-liquid character show complicated dependence on zero, positive, and negative frequency bosonic modes. We find that for a nominal choice of ${t}^{\ensuremath{'}}$ that electron- and hole-doped systems with similar Fermi-liquid character have distinct spin and charge susceptibility and distinct spin-fluctuation diagnostics spectra.