The functional renormalization group (FRG) approach for spin models relying on a pseudofermionic description has proven to be a powerful technique in simulating ground-state properties of strongly frustrated magnetic lattices. A drawback of the FRG framework is that it is formulated in the imaginary-time Matsubara formalism and thus only able to access static correlations, a limitation shared with most other many-body approaches. A description of the dynamical properties of magnetic systems is the key to bridging the gap between theory and neutron-scattering spectra. We take the decisive step of expanding the scope of pseudofermion FRG to the Keldysh formalism, which, while originally developed to address nonequilibrium phenomena, enables a direct calculation of the equilibrium dynamical spin structure factors on generic lattices in arbitrary dimensions. We identify the principal features characterizing the low-energy spectra of exemplary zero-, one- and two-dimensional spin-$1/2$ Heisenberg models as well as the Kitaev honeycomb model while identifying current limitations of the method that have to be improved upon.
The functional renormalization group (FRG) approach for spin models relying on a pseudofermionic description has proven to be a powerful technique in simulating ground-state properties of strongly frustrated magnetic lattices. A drawback of the FRG framework is that it is formulated in the imaginary-time Matsubara formalism and thus only able to access static correlations, a limitation shared with most other many-body approaches. A description of the dynamical properties of magnetic systems is the key to bridging the gap between theory and neutron-scattering spectra. We take the decisive step of expanding the scope of pseudofermion FRG to the Keldysh formalism, which, while originally developed to address nonequilibrium phenomena, enables a direct calculation of the equilibrium dynamical spin structure factors on generic lattices in arbitrary dimensions. We identify the principal features characterizing the low-energy spectra of exemplary zero-, one- and two-dimensional spin-1/2 Heisenberg models as well as the Kitaev honeycomb model while identifying current limitations of the method that have to be improved upon.
Magnetic materials with predominant antiferromagnetic couplings exhibit a wide range of phenomena arising from the interplay of quantum fluctuations, competing interactions and the underlying lattice geometry. While static properties of quantum magnets have been extensively studied and are often well understood, many of the most distinctive signatures of unconventional magnetic phases – such as fractionalization, confinement, or emergent gauge structures – are encoded in their dynamical response. Predicting these responses in strongly frustrated systems, particularly in two and three dimensions, remains a major theoretical challenge, as analytic solutions are rare and numerical methods are often limited by either dimensionality or the degree of frustration. At the same time, experimental data – e.g. from inelastic neutron scattering – is increasingly available, creating a gap between experiment and theory. To bridge this gap, we develop a real-frequency extension of the PFFRG using the Keldysh formalism, enabling dynamical observables to be computed directly without relying on a numerically unstable analytical continuation required in the Matsubara PFFRG. We derive the full set of Keldysh-indexed flow equations and perform a comprehensive symmetry analysis that is used to substantially reduce the computational effort. Benchmark calculations of the Heisenberg model on the zero-dimensional dimer, the one-dimensional spin chain, and the two-dimensional square lattice as well as the honeycomb Kitaev model show that the method is best suited for systems near the paramagnetic regime, such as quantum spin liquids. We further identify methodological limitations and outline possible extensions, including the incorporation of pseudo-Majorana particles in place of complex pseudo-Fermions, for which we also derive the corresponding flow equations and symmetry relations. With these shortcomings in mind, we apply the Keldysh PFFRG to analyze quantum spin liquid systems on the trellis lattice and the Shastry-Sutherland model and compare to a projected symmetry group approach. For the trellis lattice, the Keldysh PFFRG provides insights into which mean-field Ansätze capture the different phases together with their low-energy excitation spectra. Using optimized density-functional-theory models, we reproduce the spinon-fractionalization and deconfinement signatures observed in inelastic neutron scattering for the trellis compound \( \ce{CaCu2O3} \), and we predict the low-energy dynamical spin structure factor for \(\ce{SrCu2O3}\) and \(\ce{CaV2O5}\). In the Shastry-Sutherland model, the Keldysh PFFRG reveals the same Dirac-cone splitting predicted by the projected symmetry group approach, thereby confirming the connection between the U(1) square-lattice spin-liquid Ansatz proposed by Wen et al. [PRB 65, 165113 (2002)] and the parametrically small quantum spin liquid phase of the Shastry-Sutherland 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)-spin systems with arbitrary N and demonstrate that the scheme becomes exact in the large-N limit. Numerically solving the generalized real-space renormalization group equations for arbitrary N, we can make a stringent connection between the physically most significant case of SU(2) spins and more accessible SU(N) models. In a case study of the square-lattice 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 N. In a companion paper [Roscher et al., Phys. Rev. B 97, 064416 (2018)] we formulate a momentum-space pf-FRG approach for SU(N) spin models that allows us to explicitly study the large-N limit and access the low-temperature spin liquid phase.
For decades, frustrated quantum magnets have been a seed for scientific progress and innovation in condensed matter. As much as the numerical tools for low-dimensional quantum magnetism have thrived and improved in recent years due to breakthroughs inspired by quantum information and quantum computation, higher-dimensional quantum magnetism can be considered as the final frontier, where strong quantum entanglement, multiple ordering channels, and manifold ways of paramagnetism culminate. At the same time, efforts in crystal synthesis have induced a significant increase in the number of tangible frustrated magnets which are generically three-dimensional in nature, creating an urgent need for quantitative theoretical modeling. We review the pseudo-fermion (PF) and pseudo-Majorana (PM) functional renormalization group (FRG) and their specific ability to address higher-dimensional frustrated quantum magnetism. First developed more than a decade ago, the PFFRG interprets a Heisenberg model Hamiltonian in terms of Abrikosov pseudofermions, which is then treated in a diagrammatic resummation scheme formulated as a renormalization group flow of m-particle pseudofermion vertices. The article reviews the state of the art of PFFRG and PMFRG and discusses their application to exemplary domains of frustrated magnetism, but most importantly, it makes the algorithmic and implementation details of these methods accessible to everyone. By thus lowering the entry barrier to their application, we hope that this review will contribute towards establishing PFFRG and PMFRG as the numerical methods for addressing frustrated quantum magnetism in higher spatial dimensions.
Abstract For decades, frustrated quantum magnets have been a seed for scientific progress and innovation in condensed matter. As much as the numerical tools for low-dimensional quantum magnetism have thrived and improved in recent years due to breakthroughs inspired by quantum information and quantum computation, higher-dimensional quantum magnetism can be considered as the final frontier, where strong quantum entanglement, multiple ordering channels, and manifold ways of paramagnetism culminate. At the same time, efforts in crystal synthesis have induced a significant increase in the number of tangible frustrated magnets which are generically three-dimensional in nature, creating an urgent need for quantitative theoretical modeling. We review the pseudo-fermion (PF) and pseudo-Majorana (PM) functional renormalization group (FRG) and their specific ability to address higher-dimensional frustrated quantum magnetism. First developed more than a decade ago, the PFFRG interprets a Heisenberg model Hamiltonian in terms of Abrikosov pseudofermions, which is then treated in a diagrammatic resummation scheme formulated as a renormalization group flow of m-particle pseudofermion vertices. The article reviews the state of the art of PFFRG and PMFRG and discusses their application to exemplary domains of frustrated magnetism, but most importantly, it makes the algorithmic and implementation details of these methods accessible to everyone. By thus lowering the entry barrier to their application, we hope that this review will contribute towards establishing PFFRG and PMFRG as the numerical methods for addressing frustrated quantum magnetism in higher spatial dimensions.
For decades, frustrated quantum magnets have been a seed for scientific progress and innovation in condensed matter. As much as the numerical tools for low dimensional quantum magnetism have thrived and improved in recent years due to breakthroughs inspired by quantum information and quantum computation, higher dimensional quantum magnetism can be considered as the final frontier, where strong quantum entanglement, multiple ordering channels, and manifold ways of paramagnetism culminate. At the same time, efforts in crystal synthesis have induced a significant increase in the number of tangible frustrated magnets which are generically three dimensional in nature, creating an urgent need for quantitative theoretical modeling. We review the pseudo fermion PF and pseudo Majorana PM functional renormalization group FRG and their specific ability to address higher dimensional frustrated quantum magnetism. First developed more than a decade ago, the PFFRG interprets a Heisenberg model Hamiltonian in terms of Abrikosov pseudofermions, which is then treated in a diagrammatic resummation scheme formulated as a renormalization group flow of m particle pseudofermion vertices. The article reviews the state of the art of PFFRG and PMFRG and discusses their application to exemplary domains of frustrated magnetism, but most importantly, it makes the algorithmic and implementation details of these methods accessible to everyone. By thus lowering the entry barrier to their application, we hope that this review will contribute towards establishing PFFRG and PMFRG as the numerical methods for addressing frustrated quantum magnetism in higher spatial dimensions
Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing us to capture their scale-dependent nature. The functional renormalization group (FRG) allows us to continuously evolve a microscopic model action to an effective low-energy action as a function of decreasing energy scales via an exact functional flow equation, which is then approximated by some truncation scheme to facilitate computation. Here, we report on our implementation of multiloop FRG, an extended truncation scheme recently developed for electronic FRG calculations, within the pseudofermion functional renormalization group (pf-FRG) framework for interacting quantum spin systems. We discuss in detail the conceptual intricacies of the flow equations generated by the multiloop truncation, as well as essential refinements to the integration scheme for the resulting integrodifferential equations. To benchmark our approach, we analyze antiferromagnetic Heisenberg models on the pyrochlore, simple cubic, and face-centered cubic lattice, discussing the convergence of physical observables for higher-loop calculations and comparing with existing results where available. Combined, these methodological refinements systematically improve the pf-FRG approach to one of the numerical tools of choice when exploring frustrated quantum magnetism in higher spatial dimensions.