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arXiv:2201.06299 · The European Physical Journal B

TU$$^2$$FRG: a scalable approach for truncated unity functional renormalization group in generic fermionic models

Jonas B. Profe, Dante Marvin Kennes

Published Mar 1, 2022• 25 citations
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Abstract

Abstract Describing the emergence of phases of condensed matter is one of the central challenges in physics. For this purpose many numerical and analytical methods have been developed, each with their own strengths and limitations. The functional renormalization group is one of these methods bridging between efficiency and accuracy. In this paper we derive a new truncated unity (TU) approach unifying real- and momentum space TU, called TU $$^2$$ 2 FRG. This formalism significantly improves the scaling compared to conventional momentum (TU)FRG when applied to large unit-cell models and models where the translational symmetry is broken. Graphic abstract

DOI
10.1140/epjb/s10051-022-00316-x

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TU2^22FRG: a scalable approach for truncated unity functional renormalization group in generic fermionic models
Abstract Describing the emergence of phases of condensed matter is one of the central challenges in physics. For this purpose many numerical and analytical methods have been developed, each with their own strengths and limitations. The functional renormalization group is one of these methods bridging between efficiency and accuracy. In this paper we derive a new truncated unity (TU) approach unifying real- and momentum space TU, called TU 2^22 2 FRG. This formalism significantly improves the scaling compared to conventional momentum (TU)FRG when applied to large unit-cell models and models where the translational symmetry is broken. Graphic abstract
Although the functional renormalization group (fRG) is by now a well-established method for investigating correlated electron systems, it is still undergoing significant technical and conceptual improvements. In particular, the motivation to optimally exploit the parallelism of modern computing platforms has recently led to the development of the "truncated-unity" functional renormalization group (TU-fRG). Here, we review this fRG variant, and we provide its extension to multiband systems with spin-orbit coupling. Furthermore, we discuss some aspects of the implementation and outline opportunities and challenges ahead for predicting the ground-state ordering and emergent energy scales for a wide class of quantum materials.
In frustrated magnetism, making a stringent connection between microscopic spin models and macroscopic properties of spin liquids remains an important challenge. A recent step towards this goal has been the development of the pseudofermion functional renormalization group approach (pf-FRG) which, building on a fermionic parton construction, enables the numerical detection of the onset of spin liquid states as temperature is lowered. In this work, focusing on the SU(N)\mathrm{SU}(N)SU(N) Heisenberg model at large NNN, we extend this approach in a way that allows us to directly enter the low-temperature spin liquid phase, and to probe its character. Our approach proceeds in momentum space, making it possible to keep the truncation minimalistic, while also avoiding the bias introduced by an explicit decoupling of the fermionic parton interactions into a given channel. We benchmark our findings against exact mean-field results in the large-NNN limit, and show that even without prior knowledge the pf-FRG approach identifies the correct mean-field decoupling channel. On a technical level, we introduce an alternative finite temperature regularization scheme that is necessitated to access the spin liquid ordered phase. In a companion paper [Buessen et al., Phys. Rev. B 97, 064415 (2018)] we present a different set of modifications of the pf-FRG scheme that allow us to study SU(N)\mathrm{SU}(N)SU(N) Heisenberg models (using a real-space RG approach) for arbitrary values of NNN, albeit only up to the phase transition towards spin liquid physics.
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 ddd-wave pairing and a concurring $(\ensuremath{\pi},\ensuremath{\pi},0)$ antiferromagnetic ground state in the hole-doped Hubbard model.
The pseudofermion functional renormalization group (pf-FRG) is one of the few numerical approaches that has been demonstrated to quantitatively determine the ordering tendencies of frustrated quantum magnets in two and three spatial dimensions. The approach, however, relies on a number of presumptions and approximations, in particular the choice of pseudofermion decomposition and the truncation of an infinite number of flow equations to a finite set. Here we generalize the pf-FRG approach to SU(N)\mathrm{SU}(N)SU(N)-spin systems with arbitrary NNN and demonstrate that the scheme becomes exact in the large-NNN limit. Numerically solving the generalized real-space renormalization group equations for arbitrary NNN, we can make a stringent connection between the physically most significant case of SU(2) spins and more accessible SU(N)\mathrm{SU}(N)SU(N) models. In a case study of the square-lattice SU(N)\mathrm{SU}(N)SU(N) Heisenberg antiferromagnet, we explicitly demonstrate that the generalized pf-FRG approach is capable of identifying the instability indicating the transition into a staggered flux spin liquid ground state in these models for large, but finite, values of NNN. In a companion paper [Roscher et al., Phys. Rev. B 97, 064416 (2018)] we formulate a momentum-space pf-FRG approach for SU(N)\mathrm{SU}(N)SU(N) spin models that allows us to explicitly study the large-NNN limit and access the low-temperature spin liquid phase.
We derive functional renormalization group (fRG) schemes for Fermi systems which are based on the two-particle irreducible approach to the quantum many-body problem. In a first step, the cutoff is introduced in the non-interacting propagator as it is commonly done in fRG based on one-particle irreducible vertex functions. The most natural truncation of the resulting infinite hierarchy of flow equations is shown to be fully equivalent to self-consistent perturbation theory. An earlier suggested alternative truncation strategy is considered as well. In a second step, the cutoff is introduced in the two-particle interaction. Again two truncation procedures are investigated, one of which was derived before. In the latter, the mean-field solution of the many-body problem is considered as the starting point of the renormalization group flow. We compare the performance and the required numerical resources for solving the coupled flow equations for all the approximate schemes by applying them to the problem of the quantum anharmonic oscillator. In a functional integral representation, this model has a formal similarity to the quantum many-body problem. The perspectives for applying the derived two-particle irreducible fRG approaches to zero- and one-dimensional systems of correlated fermions are discussed.
Abstract We recapitulate recent developments of the functional renormalization group (FRG) approach to the steady state of systems out of thermal equilibrium. In particular, we discuss second-order truncation schemes which account for the frequency-dependence of the two particle vertex and which incorporate inelastic processes. Our focus is on two different types of one-dimensional fermion chains: (i) infinite, open systems which feature a translation symmetry, and (ii) finite systems coupled to left and right reservoirs. In addition to giving a detailed and unified review of the technical derivation of the FRG schemes, we briefly summarize some of the key physical results. In particular, we compute the non-equilibrium phase diagram and analyze the fate of the Berezinskii–Kosterlitz–Thouless transition in the infinite, open system. Graphic abstract