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arXiv:1608.08402 · Physical review. B./Physical review. B

Controlling Feynman diagrammatic expansions: Physical nature of the pseudogap in the two-dimensional Hubbard model

Wéi Wú, Michel Ferrero, Antoine Georges, Evgeny Kozik

Published Jul 6, 2017• 135 citations
arXivHTMLPDF

Abstract

We introduce a method for summing Feynman's perturbation series based on diagrammatic Monte Carlo that significantly improves its convergence properties. This allows us to investigate in a controllable manner the pseudogap regime of the Hubbard model and to study the nodal/antinodal dichotomy at low doping and intermediate coupling. Marked differences from the weak-coupling scenario are manifest, such as a higher degree of incoherence at the antinodes than at the ``hot spots''. Our results show that the pseudogap and reduction of quasiparticle coherence at the antinode is due to antiferromagnetic spin correlations centered around the commensurate $(\ensuremath{\pi},\ensuremath{\pi})$ wave vector. In contrast, the dominant source of scattering at the node is associated with incommensurate momentum transfer. Umklapp scattering is found to play a key role in the nodal/antinodal dichotomy.

DOI
10.1103/physrevb.96.041105

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We introduce a method for summing Feynman's perturbation series based on diagrammatic Monte Carlo that significantly improves its convergence properties. This allows us to investigate in a controllable manner the pseudogap regime of the Hubbard model and to study the nodal/antinodal dichotomy at low doping and intermediate coupling. Marked differences from the weak-coupling scenario are manifest, such as a higher degree of incoherence at the antinodes than at the ``hot spots''. Our results show that the pseudogap and reduction of quasiparticle coherence at the antinode is due to antiferromagnetic spin correlations centered around the commensurate (\ensuremathπ,\ensuremathπ)(\ensuremath{\pi},\ensuremath{\pi})(\ensuremathπ,\ensuremathπ) wave vector. In contrast, the dominant source of scattering at the node is associated with incommensurate momentum transfer. Umklapp scattering is found to play a key role in the nodal/antinodal dichotomy.
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We investigate the doped two-dimensional Hubbard model at finite temperature using controlled diagrammatic Monte Carlo calculations allowing for the computation of spectral properties in the infinite-size limit and, crucially, with arbitrary momentum resolution. We show that three distinct regimes are found as a function of doping and interaction strength, corresponding to a weakly correlated metal with properties close to those of the non-interacting system, a correlated metal with strong interaction effects including a reshaping of the Fermi surface, and a pseudogap regime at low doping in which quasiparticle excitations are selectively destroyed near the antinodal regions of momentum space. We study the physical mechanism leading to the pseudogap and show that it forms both at weak coupling when the magnetic correlation length is large and at strong coupling when it is shorter. In both cases, we show that spin-fluctuation theory can be modified in order to account for the behavior of the non-local component of the self-energy. We discuss the fate of the pseudogap as temperature goes to zero and show that, remarkably, this regime extrapolates precisely to the ordered stripe phase found by ground-state methods. This handshake between finite temperature and ground-state results significantly advances the elaboration of a comprehensive picture of the physics of the doped Hubbard model.
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more coherent quasiparticles and stronger antiferromagnetic correlations compared to hole doping. At low doping, a nodal-antinodal dichotomy on the Fermi surface is observed, similar to cuprate experiments. The dichotomy reflects the momentum dependence of the Mott gap, as manifested in both the spectral function and the self-energy. For hole doping, we observe a transition towards the pseudogap, without signature of pocket formation. The simulated nuclear magnetic resonance pseudogap temperatures do not necessarily agree with the temperature determined by spectroscopy. These findings collectively suggest the pseudogap is a smooth crossover driven by strong correlations.
We apply the boson exchange parquet solver for dual fermions to the half-filled Hubbard model on a square lattice at small interaction. Our results establish that, in this regime, nonlocal vertex corrections play an important role in the formation of the pseudogap. Namely, in comparison to the simpler ladder approximation, these additional vertex corrections included in the parquet equations enhance the coupling of spin fluctuations with the quasiparticles. The pseudogap thus opens already at a higher temperature, in quantitative agreement with the numerically exact diagrammatic Monte Carlo. The representation of the parquet diagrams in terms of boson exchange facilitates large lattice sizes and gives rise to an unbiased fluctuation diagnostic of the self-energy, which does not rely on the Fierz ambiguity. The fluctuation diagnostic implies that nodal and antinodal fermions are affected equally by spin fluctuations with the exact commensurate nesting vector $(\ensuremath{\pi},\ensuremath{\pi})$. However, the antinode couples more efficiently to incommensurate fluctuations than the node, leading to the nodal/antinodal dichotomy. We corroborate this finding in terms of a spin-fermion-like calculation.
The relationship between the pseudogap and underlying ground-state phases has not yet been rigorously established. We investigated the doped two-dimensional Hubbard model at finite temperature using controlled diagrammatic Monte Carlo calculations, allowing for the computation of spectral properties in the infinite-size limit and with arbitrary momentum resolution. We found three distinct regimes as a function of doping and interaction strength: a weakly correlated metal, a correlated metal with strong interaction effects, and a pseudogap regime at low doping. We show that the pseudogap forms both at weak coupling, when the magnetic correlation length is large, and at strong coupling, when it is shorter. As the temperature goes to zero, the pseudogap regime extrapolates precisely to the ordered stripe phase found by ground-state methods.
The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations.Using the two-dimensional half-filled Hubbard model at weak coupling as a testing ground, we perform a comparative study of a comprehensive set of state-of-the-art quantum many-body methods.Upon cooling into its insulating antiferromagnetic ground state, the model hosts a rich sequence of distinct physical regimes with crossovers between a high-temperature incoherent regime, an intermediate-temperature metallic regime, and a low-temperature insulating regime with a pseudogap created by antiferromagnetic fluctuations.We assess the ability of each method to properly address these physical regimes and crossovers through the computation of several observables probing both quasiparticle properties and magnetic correlations, with two numerically exact methods (diagrammatic and determinantal quantum Monte Carlo methods) serving as a benchmark.By combining computational results and analytical insights, we elucidate the nature and role of spin fluctuations in each of these regimes.Based on this analysis, we explain how quasiparticles can coexist with increasingly longrange antiferromagnetic correlations and why dynamical mean-field theory is found to provide a remarkably accurate approximation of local quantities in the metallic regime.We also critically