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arXiv:1101.4037 · Physical Review B

Optical and dc conductivity of the two-dimensional Hubbard model in the pseudogap regime and across the antiferromagnetic quantum critical point including vertex corrections

Dominic Bergeron, V. Hankevych, Bumsoo Kyung, A.–M. S. Tremblay

Published Aug 26, 2011• 75 citations
arXivHTMLPDF

Abstract

The conductivity of the two-dimensional Hubbard model is particularly relevant for high-temperature superconductors. Vertex corrections are expected to be important because of strongly momentum-dependent self-energies. To attack this problem, one must also take into account the Mermin--Wagner theorem, the Pauli principle, and crucial sum rules in order to reach nonperturbative regimes. Here, we use the two-particle self-consistent approach that satisfies these constraints. This approach is reliable from weak to intermediate coupling. A functional derivative approach ensures that vertex corrections are included in a way that satisfies the $f$-sum rule. The two types of vertex corrections that we find are the antiferromagnetic analogs of the Maki--Thompson and Aslamasov--Larkin contributions of superconducting fluctuations to the conductivity but, contrary to the latter, they include nonperturbative effects. The resulting analytical expressions must be evaluated numerically. The calculations are impossible unless a number of advanced numerical algorithms are used. These algorithms make extensive use of fast Fourier transforms, cubic splines, and asymptotic forms. A maximum entropy approach is specially developed for analytical continuation of our results. These algorithms are explained in detail in the appendices. The numerical results are for nearest-neighbor hoppings. In the pseudogap regime induced by two-dimensional antiferromagnetic fluctuations, the effect of vertex corrections is dramatic. Without vertex corrections the resistivity increases as we enter the pseudogap regime. Adding vertex corrections leads to a drop in resistivity, as observed in some high-temperature superconductors. At high temperatures, the resistivity saturates at the Ioffe--Regel limit. At the quantum critical point and beyond, the resistivity displays both linear and quadratic temperature dependence and there is a correlation between the linear term and the superconducting transition temperature. A hump is observed in the mid-infrared range of the optical conductivity in the presence of antiferromagnetic fluctuations.

DOI
10.1103/physrevb.84.085128

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The conductivity of the two-dimensional Hubbard model is particularly relevant for high-temperature superconductors. Vertex corrections are expected to be important because of strongly momentum-dependent self-energies. To attack this problem, one must also take into account the Mermin--Wagner theorem, the Pauli principle, and crucial sum rules in order to reach nonperturbative regimes. Here, we use the two-particle self-consistent approach that satisfies these constraints. This approach is reliable from weak to intermediate coupling. A functional derivative approach ensures that vertex corrections are included in a way that satisfies the fff-sum rule. The two types of vertex corrections that we find are the antiferromagnetic analogs of the Maki--Thompson and Aslamasov--Larkin contributions of superconducting fluctuations to the conductivity but, contrary to the latter, they include nonperturbative effects. The resulting analytical expressions must be evaluated numerically. The calculations are impossible unless a number of advanced numerical algorithms are used. These algorithms make extensive use of fast Fourier transforms, cubic splines, and asymptotic forms. A maximum entropy approach is specially developed for analytical continuation of our results. These algorithms are explained in detail in the appendices. The numerical results are for nearest-neighbor hoppings. In the pseudogap regime induced by two-dimensional antiferromagnetic fluctuations, the effect of vertex corrections is dramatic. Without vertex corrections the resistivity increases as we enter the pseudogap regime. Adding vertex corrections leads to a drop in resistivity, as observed in some high-temperature superconductors. At high temperatures, the resistivity saturates at the Ioffe--Regel limit. At the quantum critical point and beyond, the resistivity displays both linear and quadratic temperature dependence and there is a correlation between the linear term and the superconducting transition temperature. A hump is observed in the mid-infrared range of the optical conductivity in the presence of antiferromagnetic fluctuations.
The optical conductivity of the weakly doped two-dimensional repulsive Hubbard model on the square lattice with the nearest and next-nearest hoppings is calculated within the generalized dynamical mean-field $(\mathrm{DMFT}+{\ensuremath{\sum}}_{\mathbf{p}})$ approach, which includes correlation length scale $\ensuremath{\xi}$ into the standard DMFT equations via the momentum dependent self-energy ${\ensuremath{\sum}}_{\mathbf{p}}$, with a full account of appropriate vertex corrections. This approach takes into consideration the nonlocal dynamical correlations induced, e.g., by short-ranged collective spin-density-wavelike antiferromagnetic spin fluctuations, which (at high enough temperatures) can be viewed as a quenched Gaussian random field with finite correlation length $\ensuremath{\xi}$. The DMFT effective single-impurity problem is solved by numerical renormalization group. We consider both the case of correlated metal with the bandwidth $W\ensuremath{\lesssim}U$ and that of doped Mott insulator with U⪢WU⪢WU⪢W (UUU---the value of local Hubbard interaction). The optical conductivity calculated within $\mathrm{DMFT}+{\ensuremath{\sum}}_{\mathbf{p}}$ demonstrates typical pseudogap behavior within the quasiparticle band, in qualitative agreement with experiments in copper oxide superconductors. For large values of UUU, pseudogap anomalies are effectively suppressed.
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.
Calculating transport properties presents a great challenge in the study of strongly correlated electrons, particularly in two dimensions where the non-local processes and the vertex corrections are important, but remain poorly understood. We study the Hubbard model on the square lattice in the strongly correlated regime. We use several complementary state-of-the-art numerical methods to disentangle the different effects and resolve the problem conclusively at high temperatures. In this regime, non-local correlations and long-distance quantum fluctuations have little impact, yet the vertex corrections survive and substantially suppress resistivity. Our study becomes particularly relevant in the light of recent experiments on optical lattices that provide realizations of the two-dimensional Hubbard model in a similar parameter regime.
A new approach to the single-band Hubbard model is described in the general context of many-body theories. It is based on enforcing conservation laws, the Pauli principle and a number of crucial sum-rules. More specifically, spin and charge susceptibilities are expressed, in a conserving approximation, as a function of two constant irreducible vertices whose values are found self-consistently. The Mermin-Wagner theorem in two dimensions is automatically satisfied. The effect of collective modes on single-particle properties is then obtained by a paramagnon-like formula that is consistent with the two-particle properties in the sense that the potential energy obtained from TrΣGTrΣGTrΣG is identical to that obtained using the fluctuation-dissipation theorem for susceptibilities. The vertex corrections are included through constant irreducible vertices. The theory is in quantitative agreement with Monte Carlo simulations for both single-particle and two-particle properties. In the two-dimensional renormalized classical regime, spin fluctuations lead to precursors of antiferromagnetic bands (shadow bands) and to the destruction of the Fermi-liquid quasiparticles in a wide temperature range above the zero-temperature phase transition. The analogous phenomenon of pairing pseudogap can occur in the attractive model in two dimensions when the pairing fluctuations become critical. Other many-body approaches are critically compared. It is argued that treating the spin fluctuations as if there was a Migdal's theorem can lead to wrong predictions, in particular with regard to the the single-particle pseudogap.
We numerically study optical conductivity σ(ω)σ(ω)σ(ω) near the "antiferromagnetic" phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections, and to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature- and ωωω-dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the vertex corrections enhance variations in the ωωω-dependence, and sharpen the Drude peak and a high-ωωω incoherent peak in the paramagnetic phase. They also enhance the dip in σ(ω)σ(ω)σ(ω) at ωωω=0 in the antiferromagnetic phase. Therefore, the dc conductivity is enhanced in the paramagnetic phase and suppressed in the antiferromagnetic phase, but this change occurs slightly below the transition temperature. We also find a temperature region above the transition temperature in which the dc conductivity shows an insulating behavior but σ(ω)σ(ω)σ(ω) retains the Drude peak, and this region is stabilized by the vertex corrections. We also investigate which fluctuations are important in the vertex corrections and analyze momentum dependence of the vertex function in detail.
We numerically study optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ near the ``antiferromagnetic'' phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections and, to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature and $\ensuremath{\omega}$ dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the vertex corrections enhance variations in the $\ensuremath{\omega}$ dependence, and sharpen the Drude peak and a high-$\ensuremath{\omega}$ incoherent peak in the paramagnetic phase. They also enhance the dip in $\ensuremath{\sigma}(\ensuremath{\omega})$ at $\ensuremath{\omega}=0$ in the antiferromagnetic phase. Therefore, the dc conductivity is enhanced in the paramagnetic phase and suppressed in the antiferromagnetic phase, but this change occurs slightly below the transition temperature. We also find a temperature region above the transition temperature in which the dc conductivity shows an insulating behavior but $\ensuremath{\sigma}(\ensuremath{\omega})$ retains the Drude peak, and this region is stabilized by the vertex corrections. We also investigate which fluctuations are important in the vertex corrections and analyze momentum dependence of the vertex function in detail.