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arXiv:2010.05935 · Physical review. B./Physical review. B

Fluctuation diagnostic of the nodal/antinodal dichotomy in the Hubbard model at weak coupling: A parquet dual fermion approach

Friedrich Krien, Alexander I. Lichtenstein, G. Rohringer

Published Dec 15, 2020• 41 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1103/physrevb.102.235133

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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 (\ensuremathπ,\ensuremathπ)(\ensuremath{\pi},\ensuremath{\pi})(\ensuremathπ,\ensuremathπ). 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.
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.
We present the finite-difference parquet method that greatly improves the applicability and accuracy of two-particle correlation approaches to interacting electron systems. This method incorporates the nonperturbative local physics from a reference solution and builds all parquet diagrams while circumventing potentially divergent irreducible vertices. Its unbiased treatment of different fluctuations is crucial for reproducing the strong-coupling pseudogap in the underdoped Hubbard model, consistent with diagrammatic Monte Carlo calculations. We reveal a strong-coupling spin-fluctuation mechanism of the pseudogap with decisive vertex corrections that encode the enhanced, energy-dependent scattering amplitude between electrons and antiferromagnetic spin fluctuations.
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Abstract The parquet approach to vertex corrections is unbiased but computationally demanding. Most applications are therefore restricted to small cluster sizes or rely on various simplifying approximations. We have recently shown that the bosonization of the parquet diagrams provides interpretative and algorithmic advantages over the original purely fermionic formulation. Here, we present first results of the numerical implementation of this method by applying it to the half-filled Hubbard model on the square lattice at weak coupling. The improved algorithmic performance allows us to evaluate the parquet approximation for a 16×1616\times 1616×16 16 × 16 lattice, retaining the full momentum and frequency structure of the various vertex functions. We discuss their symmetries and consider parametrizations of their momentum dependence using the truncated-unity approximation. Graphical abstract
We study a model of quasiparticles on a two-dimensional square lattice coupled to Gaussian distributed dynamical molecular fields. We consider two types of such fields, a vector molecular field that couples to the quasiparticle spin density and a scalar field coupled to the quasiparticle number density. The model describes quasiparticles coupled to spin or charge fluctuations, and is solved by a Monte Carlo sampling of the molecular field distributions. The nonperturbative solution is compared to various approximations based on diagrammatic perturbation theory. When the molecular field correlations are sufficiently weak, the diagrammatic calculations capture the qualitative aspects of the quasiparticle spectrum. For a range of model parameters near the magnetic boundary, we find that the quasiparticle spectrum is qualitatively different from that of a Fermi liquid, in that it shows a double peak structure, and that the diagrammatic approximations we consider fail to reproduce, even qualitatively, the nonperturbative results of the Monte Carlo calculations. This suggests that the magnetic pseudogap induced by a coupling to antiferromagnetic spin fluctuations and the spin splitting of the quasiparticle peak induced by a coupling to ferromagnetic spin fluctuations lie beyond diagrammatic perturbation theory. While a pseudogap opens when quasiparticles are coupled to antiferromagnetic fluctuations, such a pseudogap is not observed in the corresponding charge-fluctuation case for the range of parameters studied, where vertex corrections are found to effectively reduce the strength of the interaction. This suggests that one has to be closer to the border of long-range order to observe pseudogap effects in the charge-fluctuation case than for a spin-fluctuation-induced interaction under otherwise similar conditions. The diagrammatic approximations that contain first-order vertex corrections show the enhancement of the spin-fluctuation-induced interaction and the suppression of the effective interaction in the charge-fluctuation case. However, for the range of model parameters considered here, the multiple spin or charge-fluctuation exchange processes not included in the diagrammatic approximations considered are found to be important, especially for quasiparticles coupled to charge fluctuations.
We present an efficient diagrammatic method to describe nonlocal correlation effects in lattice fermion Hubbard-type models, which is based on a change of variables in the Grassmann path integrals. The new fermions are dual to the original ones and correspond to weakly interacting quasiparticles in the case of strong local correlations in the Hubbard model. The method starts with dynamical mean-field theory as a zeroth-order approximation and includes nonlocal effects in a perturbative way. In contrast to cluster approaches, this method utilizes an exact transition to a dual set of variables. It therefore becomes possible to treat vertices of an effective single-impurity problem as small parameters. This provides a very efficient interpolation between bandlike weak-coupling and atomic limits. The method is illustrated on the two-dimensional Hubbard model. The antiferromagnetic pseudogap, Fermi-arc formations, and non-Fermi-liquid effects due to the Van Hove singularity are correctly reproduced by the lowest-order diagrams. Extremum properties of the dual fermion approach are discussed in terms of the Feynman variational principle.