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arXiv:2004.14711 · Physical review. B./Physical review. B

Functional renormalization group for fermion lattice models in three dimensions: Application to the Hubbard model on the cubic lattice

Jannis Ehrlich, Carsten Honerkamp A

Published Nov 5, 2020• 19 citations
arXivHTMLPDF

Abstract

The channel-decomposed functional renormalization group (FRG) approach, most recently presented in the variant of truncated-unity FRG (TUFRG), has so far been used for various two-dimensional model systems. Yet for many interesting material systems the third spatial dimension is of clear relevance. Therefore, FRG schemes working in three spatial dimensions (3D) are definitely on the wish list. Here we demonstrate that a 3D TUFRG scheme can be set up in a straightforward extension of previous two-dimensional codes and gives physically sensible results with affordable numerical effort, regarding both the qualitative and quantitative descriptions. The computed phase diagram of the three-dimensional Hubbard model at half filling or perfect nesting shows a phase transition to a $(\ensuremath{\pi},\ensuremath{\pi},\ensuremath{\pi})$-ordered antiferromagnetic ground state for repulsive interactions at an energy scale that compares well with other numerical approaches in the literature. Furthermore, the method allowed us to detect a $d$-wave pairing and a concurring $(\ensuremath{\pi},\ensuremath{\pi},0)$ antiferromagnetic ground state in the hole-doped Hubbard model.

DOI
10.1103/physrevb.102.195108

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Using a leading algorithmic implementation of the functional renormalization group (fRG) for interacting fermions on two-dimensional lattices, we provide a detailed analysis of its quantitative reliability for the Hubbard model. In particular, we show that the recently introduced multiloop extension of the fRG flow equations for the self-energy and two-particle vertex allows for a precise match with the parquet approximation also for two-dimensional lattice problems. The refinement with respect to previous fRG-based computation schemes relies on an accurate treatment of the frequency and momentum dependences of the two-particle vertex, which combines a proper inclusion of the high-frequency asymptotics with the so-called truncated unity fRG for the momentum dependence. The adoption of the latter scheme requires, as an essential step, a consistent modification of the flow equation of the self-energy. We quantitatively compare our fRG results for the self-energy and momentum-dependent susceptibilities and the corresponding solution of the parquet approximation to determinant quantum Monte Carlo data, demonstrating that the fRG is remarkably accurate up to moderate interaction strengths. The presented methodological improvements illustrate how fRG flows can be brought to a quantitative level for two-dimensional problems, providing a solid basis for the application to more general systems.
We present a functional renormalization group (fRG) formalism for interacting fermions on lattices that captures the flow into states with commensurate spin-density-wave order. During the flow, the growth of the order parameter is fed back into the flow of the interactions and all modes can be integrated out. This extends previous fRG flows in the symmetric phase that run into a divergence at a nonzero RG scale, i.e., that have to be stopped at the ordering scale. We use the corresponding Ward identity to check the accuracy of the results. We apply our method to a model with two Fermi pockets that have perfect particle-hole nesting. The results obtained from the fRG are compared with those in random-phase approximation.
Using a leading algorithmic implementation of the functional renormalization group (fRG) for interacting fermions on two-dimensional lattices, we provide a detailed analysis of its quantitative reliability for the Hubbard model.In particular, we show that the recently introduced multiloop extension of the fRG flow equations for the self-energy and two-particle vertex allows for a precise match with the parquet approximation also for twodimensional lattice problems.The refinement with respect to previous fRG-based computation schemes relies on an accurate treatment of the frequency and momentum dependences of the two-particle vertex, which combines a proper inclusion of the high-frequency asymptotics with the so-called truncated unity fRG for the momentum dependence.The adoption of the latter scheme requires, as an essential step, a consistent modification of the flow equation of the self-energy.We quantitatively compare our fRG results for the self-energy and momentumdependent susceptibilities and the corresponding solution of the parquet approximation to determinant quantum Monte Carlo data, demonstrating that the fRG is remarkably accurate up to moderate interaction strengths.The presented methodological improvements illustrate how fRG flows can be brought to a quantitative level for two-dimensional problems, providing a solid basis for the application to more general systems.
In this thesis a novel computational approach for functional Renormalization Group (fRG) investigations regarding interacting fermions on two-dimensional lattices is derived. The approach is based on the exchange-parametrization fRG [C. Husemann and M. Salmhofer. Phys. Rev. B, 79:195125.] concerning the two-fermion interaction, with additional insertions of truncated partitions of unity that are inspired by the singular-mode fRG [W.-S. Wang, Y.-Y. Xiang, Q.-H. Wang, et al.. Phys. Rev. B, 85:035414.]. These insertions decouple the fermionic propagators from the exchange propagators and thereby lead to a separation of the underlying equations. It is argued that this separation is numerically advantageous and may pave the way for refined, large-scale computational fRG investigations. Furthermore, on the basis of speedup data gained from an implementation of the novel scheme, it is shown that the new equation structure facilitates efficient calculations on a large number of multi-core CPUs. Utilizing the methodical development, two applications are presented afterwards: Firstly, the scheme is applied to the t-t' Hubbard model on a square lattice. In order to test the method, the convergence of the results with respect to increasing truncation length of the partition of unity is analyzed and a comparison to findings from previous fRG studies is drawn. The test yields a fast convergence in most parts of the investigated parameter range. Moreover, it was found that the older findings are approximately reproduced using a short truncation length, while quantitative corrections to the previous results are obtained using longer truncation lengths. In addition to these method focused investigations, the high momentum-space resolution of the implementation was utilized to study ordering vectors of antiferromagnetic phases. A comparison to calculations solely based on the magnetic channel revealed that the inter-channel feedback, as contained in the fRG, generates support for commensurate antiferromagnetic orderings. The second application addresses a modified version of the previous model, in which a Coulomb-like long-range interaction term is added to the local Hubbard interaction. In this work a solution is presented on how the long-range interaction can be implemented in a momentum-space fRG scheme without encountering singularities. Afterwards, phase diagrams are given that compare the results of calculations using short- and long-ranged interactions, showing significantly lower critical scales in the long-range scenario. Finally, screening lengths are extracted from the fRG outcome and are compared to those calculated in a 'random phase approximation'. The comparison reveals quantitative differences between both values. However, the results indicate that the charge screening is not changed qualitatively by the feedback from other channels, i.e., at van Hove filling the screening length tends to zero in both cases.
The functional renormalization group (FRG) has been used widely to investigate phase diagrams, in particular the one of the two-dimensional Hubbard model. So far, the study of one-dimensional models has not attracted as much attention. We use the FRG to investigate the phases of a one-dimensional spinless tight-binding chain with nearest and next-nearest neighbor interactions at half filling. The phase diagram of this model has already been established with other methods, and phase transitions from a metallic phase to ordered phases take place at intermediate to strong interactions. The model is thus well suited to analyze the potential and the limitations of the FRG in this regime of interactions. We employ flow equations that are exact up to second order in the interaction, which implies that we take into account the frequency dependence of the two-particle vertex as well as the feedback of the dynamic self-energy. For intermediate nearest neighbor interactions, our scheme captures the phase transition from a metallic phase to a charge density wave with alternating occupation. The critical interaction, at which this transition occurs, is underestimated due to our approximations. Similarly, for intermediate next-nearest neighbor interactions, we observe a transition to a charge density wave with occupation pattern ...00110011......00110011......00110011.... We show that taking into account a feedback of the two-particle vertex in the flow equation is essential for the detection of those phases.
We present a functional renormalization group (fRG) study of the two dimensional Hubbard model, performed with an algorithmic implementation which lifts some of the common approximations made in fRG calculations. In particular, in our fRG flow; (i) we take explicitly into account the momentum and the frequency dependence of the vertex functions; (ii) we include the feedback effect of the self-energy; (iii) we implement the recently introduced multiloop extension which allows us to sum up all the diagrams of the parquet approximation with their exact weight. Due to its iterative structure based on successive one-loop computations, the loop convergence of the fRG results can be obtained with an affordable numerical effort. In particular, focusing on the analysis of the physical response functions, we show that the results become independent from the chosen cutoff scheme and from the way the fRG susceptibilities are computed, i.e., either through flowing couplings to external fields, or through a “post-processing” contraction of the interaction vertex at the end of the flow. The presented substantial refinement of fRG-based computation schemes paves a promising route towards future quantitative fRG analyses of more challenging systems and/or parameter regimes.