-
Unconventional orders in the maple-leaf ferro-antiferromagnetic Heisenberg model
Authors:
Lasse Gresista,
Dominik Kiese,
Simon Trebst,
Yasir Iqbal
Abstract:
Motivated by the search for unconventional orders in frustrated quantum magnets, we present a multi-method investigation into the nature of the quantum phase diagram of the spin-$1/2$ Heisenberg model on the maple-leaf lattice with three symmetry-inequivalent nearest-neighbor interactions. It has been argued that the parameter regime with antiferromagnetic couplings on hexagons $J_h$ and ferromagn…
▽ More
Motivated by the search for unconventional orders in frustrated quantum magnets, we present a multi-method investigation into the nature of the quantum phase diagram of the spin-$1/2$ Heisenberg model on the maple-leaf lattice with three symmetry-inequivalent nearest-neighbor interactions. It has been argued that the parameter regime with antiferromagnetic couplings on hexagons $J_h$ and ferromagnetic couplings on triangles $J_t$ and dimer $J_d$ bonds, is potentially host to a cornucopia of emergent phases with unconventional orders. Our analysis indeed identifies an extended region where any conventional dipolar magnetic order is absent. A hexagonal singlet state is found in the region around $J_{d}=J_{t}=0$, while a dimerized hexagonal singlet order of a lattice nematic character appears proximate to the phase boundary with the c$120^\circ$ antiferromagnetic order. Interestingly, upon traversing the bulk of the paramagnetic (PM) region, we find a variety of distinct correlation profiles, which are qualitatively different from those of the hexagonal singlet and dimerized hexagonal singlet orders but feature no appreciable spin-nematic response, while the boundary with the ferromagnetic phase shows evidence of spin-nematic order. This PM region is thus likely host to an ensemble of nonmagnetic phases which could putatively include quantum spin liquids. Our phase diagram is built from a complementary application of state-of-the-art implementations of the cluster mean-field and pseudo-fermion functional renormalization group approaches, together with an unconstrained Luttinger-Tisza treatment of the model providing insights from the semi-classical limit.
△ Less
Submitted 26 November, 2025;
originally announced November 2025.
-
Expert Evaluation of LLM World Models: A High-$T_c$ Superconductivity Case Study
Authors:
Haoyu Guo,
Maria Tikhanovskaya,
Paul Raccuglia,
Alexey Vlaskin,
Chris Co,
Daniel J. Liebling,
Scott Ellsworth,
Matthew Abraham,
Elizabeth Dorfman,
N. P. Armitage,
Chunhan Feng,
Antoine Georges,
Olivier Gingras,
Dominik Kiese,
Steven A. Kivelson,
Vadim Oganesyan,
B. J. Ramshaw,
Subir Sachdev,
T. Senthil,
J. M. Tranquada,
Michael P. Brenner,
Subhashini Venugopalan,
Eun-Ah Kim
Abstract:
Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized domains remains an active area of research. Using the field of high-temperature cuprates as an exemplar, we evaluate the ability of LLM systems to understand the…
▽ More
Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized domains remains an active area of research. Using the field of high-temperature cuprates as an exemplar, we evaluate the ability of LLM systems to understand the literature at the level of an expert. We construct an expert-curated database of 1,726 scientific papers that covers the history of the field, and a set of 67 expert-formulated questions that probe deep understanding of the literature. We then evaluate six different LLM-based systems for answering these questions, including both commercially available closed models and a custom retrieval-augmented generation (RAG) system capable of retrieving images alongside text. Experts then evaluate the answers of these systems against a rubric that assesses balanced perspectives, factual comprehensiveness, succinctness, and evidentiary support. Among the six systems two using RAG on curated literature outperformed existing closed models across key metrics, particularly in providing comprehensive and well-supported answers. We discuss promising aspects of LLM performances as well as critical short-comings of all the models. The set of expert-formulated questions and the rubric will be valuable for assessing expert level performance of LLM based reasoning systems.
△ Less
Submitted 5 November, 2025;
originally announced November 2025.
-
The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap
Authors:
Jae-Mo Lihm,
Dominik Kiese,
Seung-Sup B. Lee,
Fabian B. Kugler
Abstract:
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 fluctuatio…
▽ More
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.
△ Less
Submitted 8 March, 2026; v1 submitted 26 May, 2025;
originally announced May 2025.
-
Intertwined Superconductivity and Magnetism from Repulsive Interactions in Kondo Bilayers
Authors:
Clara S. Weber,
Dominik Kiese,
Dante M. Kennes,
Martin Claassen
Abstract:
While superconductors are conventionally established by attractive interactions, higher-temperature mechanisms for emergent electronic pairing from strong repulsive electron-electron interactions remain under considerable scrutiny. Here, we establish a strong-coupling mechanism for intertwined superconductivity and magnetic order from purely repulsive interactions in a Kondo-like bilayer system, c…
▽ More
While superconductors are conventionally established by attractive interactions, higher-temperature mechanisms for emergent electronic pairing from strong repulsive electron-electron interactions remain under considerable scrutiny. Here, we establish a strong-coupling mechanism for intertwined superconductivity and magnetic order from purely repulsive interactions in a Kondo-like bilayer system, composed of a two-dimensional Mott insulator coupled to a layer of weakly-interacting itinerant electrons. Combining large scale DMRG and Monte Carlo simulations, we find that superconductivity persists and coexists with magnetism over a wide range of interlayer couplings. We classify the resulting rich phase diagram and find 2-rung antiferromagnetic and 4-rung antiferromagnetic order in one-dimensional systems along with a phase separation regime, while finding that superconductivity coexists with either antiferromagnetic or ferromagnetic order in two dimensions. Remarkably, the model permits a rigorous strong-coupling analysis via localized spins coupled to charge-2e bosons through Kugel-Khomskii interactions, capturing the pairing mechanism in the presence of magnetism due to emergent attractive interactions. Our numerical analysis reveals that pairing remains robust well beyond the strong-coupling regime, establishing a new mechanism for superconductivity in coupled weakly- and strongly-interacting electron systems, relevant for infinite-layer nickelates and superconductivity in moire multilayer heterostructures.
△ Less
Submitted 5 August, 2024;
originally announced August 2024.
-
Embedded multi-boson exchange: A step beyond quantum cluster theories
Authors:
Dominik Kiese,
Nils Wentzell,
Igor Krivenko,
Olivier Parcollet,
Karsten Held,
Friedrich Krien
Abstract:
We introduce a diagrammatic multi-scale approach to the Hubbard model based on the interaction-irreducible (multi-boson) vertex of a small cluster embedded in a self-consistent medium. The vertex captures short-ranged correlations up to the length scale of the cluster, while long-ranged correlations are recovered from a set of diagrammatic equations for the Hedin three-leg vertex. By virtue of the…
▽ More
We introduce a diagrammatic multi-scale approach to the Hubbard model based on the interaction-irreducible (multi-boson) vertex of a small cluster embedded in a self-consistent medium. The vertex captures short-ranged correlations up to the length scale of the cluster, while long-ranged correlations are recovered from a set of diagrammatic equations for the Hedin three-leg vertex. By virtue of the crossing symmetry, the Fierz decoupling ambiguity of the Hubbard interaction is resolved exactly. Our benchmarks for the half-filled Hubbard model on the square lattice are in very good agreement with numerically exact diagrammatic Monte Carlo simulations.
△ Less
Submitted 21 June, 2024;
originally announced June 2024.
-
Discrete Lehmann representation of three-point functions
Authors:
Dominik Kiese,
Hugo U. R. Strand,
Kun Chen,
Nils Wentzell,
Olivier Parcollet,
Jason Kaye
Abstract:
We present a generalization of the discrete Lehmann representation (DLR) to three-point correlation and vertex functions in imaginary time and Matsubara frequency. The representation takes the form of a linear combination of judiciously chosen exponentials in imaginary time, and products of simple poles in Matsubara frequency, which are universal for a given temperature and energy cutoff. We prese…
▽ More
We present a generalization of the discrete Lehmann representation (DLR) to three-point correlation and vertex functions in imaginary time and Matsubara frequency. The representation takes the form of a linear combination of judiciously chosen exponentials in imaginary time, and products of simple poles in Matsubara frequency, which are universal for a given temperature and energy cutoff. We present a systematic algorithm to generate compact sampling grids, from which the coefficients of such an expansion can be obtained by solving a linear system. We show that the explicit form of the representation can be used to evaluate diagrammatic expressions involving infinite Matsubara sums, such as polarization functions or self-energies, with controllable, high-order accuracy. This collection of techniques establishes a framework through which methods involving three-point objects can be implemented robustly, with a substantially reduced computational cost and memory footprint.
△ Less
Submitted 18 July, 2024; v1 submitted 9 May, 2024;
originally announced May 2024.
-
Machine learning-based compression of quantum many body physics: PCA and autoencoder representation of the vertex function
Authors:
Jiawei Zang,
Matija Medvidović,
Dominik Kiese,
Domenico Di Sante,
Anirvan M. Sengupta,
Andrew J. Millis
Abstract:
Characterizing complex many-body phases of matter has been a central question in quantum physics for decades. Numerical methods built around approximations of the renormalization group (RG) flow equations have offered reliable and systematically improvable answers to the initial question -- what simple physics drives quantum order and disorder? The flow equations are a very high dimensional set of…
▽ More
Characterizing complex many-body phases of matter has been a central question in quantum physics for decades. Numerical methods built around approximations of the renormalization group (RG) flow equations have offered reliable and systematically improvable answers to the initial question -- what simple physics drives quantum order and disorder? The flow equations are a very high dimensional set of coupled nonlinear equations whose solution is the two particle vertex function, a function of three continuous momenta that describes particle-particle scattering and encodes much of the low energy physics including whether the system exhibits various forms of long ranged order. In this work, we take a simple and interpretable data-driven approach to the open question of compressing the two-particle vertex. We use PCA and an autoencoder neural network to derive compact, low-dimensional representations of underlying physics for the case of interacting fermions on a lattice. We quantify errors in the representations by multiple metrics and show that a simple linear PCA offers more physical insight and better out-of-distribution (zero-shot) generalization than the nominally more expressive nonlinear models. Even with a modest number of principal components (10 - 20), we find excellent reconstruction of vertex functions across the phase diagram. This result suggests that many other many-body functions may be similarly compressible, potentially allowing for efficient computation of observables. Finally, we identify principal component subspaces that are shared between known phases, offering new physical insight.
△ Less
Submitted 22 March, 2024;
originally announced March 2024.
-
Compressing the two-particle Green's function using wavelets: Theory and application to the Hubbard atom
Authors:
Emin Moghadas,
Nikolaus Dräger,
Alessandro Toschi,
Jiawei Zang,
Matija Medvidović,
Dominik Kiese,
Andrew J. Millis,
Anirvan M. Sengupta,
Sabine Andergassen,
Domenico Di Sante
Abstract:
Precise algorithms capable of providing controlled solutions in the presence of strong interactions are transforming the landscape of quantum many-body physics. Particularly exciting breakthroughs are enabling the computation of non-zero temperature correlation functions. However, computational challenges arise due to constraints in resources and memory limitations, especially in scenarios involvi…
▽ More
Precise algorithms capable of providing controlled solutions in the presence of strong interactions are transforming the landscape of quantum many-body physics. Particularly exciting breakthroughs are enabling the computation of non-zero temperature correlation functions. However, computational challenges arise due to constraints in resources and memory limitations, especially in scenarios involving complex Green's functions and lattice effects. Leveraging the principles of signal processing and data compression, this paper explores the wavelet decomposition as a versatile and efficient method for obtaining compact and resource-efficient representations of the many-body theory of interacting systems. The effectiveness of the wavelet decomposition is illustrated through its application to the representation of generalized susceptibilities and self-energies in a prototypical interacting fermionic system, namely the Hubbard model at half-filling in its atomic limit. These results are the first proof-of-principle application of the wavelet compression within the realm of many-body physics and demonstrate the potential of this wavelet-based compression scheme for understanding the physics of correlated electron systems.
△ Less
Submitted 4 September, 2024; v1 submitted 20 February, 2024;
originally announced February 2024.
-
MatsubaraFunctions.jl: An equilibrium Green's function library in the Julia programming language
Authors:
Dominik Kiese,
Anxiang Ge,
Nepomuk Ritz,
Jan von Delft,
Nils Wentzell
Abstract:
The Matsubara Green's function formalism stands as a powerful technique for computing the thermodynamic characteristics of interacting quantum many-particle systems at finite temperatures. In this manuscript, our focus centers on introducing MatsubaraFunctions.jl, a Julia library that implements data structures for generalized n-point Green's functions on Matsubara frequency grids. The package's a…
▽ More
The Matsubara Green's function formalism stands as a powerful technique for computing the thermodynamic characteristics of interacting quantum many-particle systems at finite temperatures. In this manuscript, our focus centers on introducing MatsubaraFunctions.jl, a Julia library that implements data structures for generalized n-point Green's functions on Matsubara frequency grids. The package's architecture prioritizes user-friendliness without compromising the development of efficient solvers for quantum field theories in equilibrium. Following a comprehensive introduction of the fundamental types, we delve into a thorough examination of key facets of the interface. This encompasses avenues for accessing Green's functions, techniques for extrapolation and interpolation, as well as the incorporation of symmetries and a variety of parallelization strategies. Examples of increasing complexity serve to demonstrate the practical utility of the library, supplemented by discussions on strategies for sidestepping impediments to optimal performance.
△ Less
Submitted 28 November, 2023; v1 submitted 21 September, 2023;
originally announced September 2023.
-
Pseudo-fermion functional renormalization group for spin models
Authors:
Tobias Müller,
Dominik Kiese,
Nils Niggemann,
Björn Sbierski,
Johannes Reuther,
Simon Trebst,
Ronny Thomale,
Yasir Iqbal
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 qua…
▽ More
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.
△ Less
Submitted 13 June, 2024; v1 submitted 19 July, 2023;
originally announced July 2023.
-
Spin-valley magnetism on the triangular moiré lattice with SU(4) breaking interactions
Authors:
Lasse Gresista,
Dominik Kiese,
Simon Trebst,
Michael M. Scherer
Abstract:
The discovery of correlated insulating states in moiré heterostructures has renewed the interest in strongly-coupled electron systems where spin and valley (or layer) degrees of freedom are intertwined. In the strong-coupling limit, such systems can be effectively described by SU(4) spin-valley models akin to Kugel-Khomskii models long studied in the context of spin-orbit coupled materials. Howeve…
▽ More
The discovery of correlated insulating states in moiré heterostructures has renewed the interest in strongly-coupled electron systems where spin and valley (or layer) degrees of freedom are intertwined. In the strong-coupling limit, such systems can be effectively described by SU(4) spin-valley models akin to Kugel-Khomskii models long studied in the context of spin-orbit coupled materials. However, typical moiré heterostructures also exhibit interactions that break the SU(4) symmetry down to SU(2)${}_{\mathrm{spin}}\otimes$U(1)${}_{\mathrm{valley}}$. Here we investigate the impact of such symmetry-breaking couplings on the magnetic phase diagram for triangular superlattices considering a filling of two electrons (or holes) per moiré unit cell. We explore a broad regime of couplings -- including XXZ anisotropies, Dzyaloshinskii-Moriya exchange and on-site Hund's couplings -- using semi-classical Monte Carlo simulations. We find a multitude of classically ordered phases, including (anti-)ferromagnetic, incommensurate, and stripe order, manifesting in different sectors of the spin-valley model's parameter space. Zooming in on the regimes where quantum fluctuations are likely to have an effect, we employ pseudo-fermion functional renormalization group (pf-FRG) calculations to resolve quantum disordered ground states such as spin-valley liquids, which we indeed find for certain parameter regimes. As a concrete example, we discuss the case of trilayer graphene aligned with hexagonal boron nitride using material-specific parameters.
△ Less
Submitted 7 July, 2023; v1 submitted 2 March, 2023;
originally announced March 2023.
-
Taming pseudo-fermion functional renormalization for quantum spins: Finite-temperatures and the Popov-Fedotov trick
Authors:
Benedikt Schneider,
Dominik Kiese,
Björn Sbierski
Abstract:
The pseudo-fermion representation for $S=1/2$ quantum spins introduces unphysical states in the Hilbert space which can be projected out using the Popov-Fedotov trick. However, state-of-the-art implementation of the functional renormalization group method for pseudo-fermions have so far omitted the Popov-Fedotov projection. Instead, restrictions to zero temperature were made and absence of unphysi…
▽ More
The pseudo-fermion representation for $S=1/2$ quantum spins introduces unphysical states in the Hilbert space which can be projected out using the Popov-Fedotov trick. However, state-of-the-art implementation of the functional renormalization group method for pseudo-fermions have so far omitted the Popov-Fedotov projection. Instead, restrictions to zero temperature were made and absence of unphysical contributions to the ground-state was assumed. We question this belief by exact diagonalization of several small-system counterexamples where unphysical states do contribute to the ground state. We then introduce Popov-Fedotov projection to pseudo-fermion functional renormalization, enabling finite temperature computations with only minor technical modifications to the method. At large and intermediate temperatures, our results are perturbatively controlled and we confirm their accuracy in benchmark calculations. At lower temperatures, the accuracy degrades due to truncation errors in the hierarchy of flow equations. Interestingly, these problems cannot be alleviated by switching to the parquet approximation. We introduce the spin projection as a method-intrinsic quality check. We also show that finite temperature magnetic ordering transitions can be studied via finite-size scaling.
△ Less
Submitted 25 January, 2023; v1 submitted 27 September, 2022;
originally announced September 2022.
-
Pinch-points to half-moons and up in the stars: the kagome skymap
Authors:
Dominik Kiese,
Francesco Ferrari,
Nikita Astrakhantsev,
Nils Niggemann,
Pratyay Ghosh,
Tobias Müller,
Ronny Thomale,
Titus Neupert,
Johannes Reuther,
Michel J. P. Gingras,
Simon Trebst,
Yasir Iqbal
Abstract:
Pinch point singularities, associated with flat band magnetic excitations, are tell-tale signatures of Coulomb spin liquids. While their properties in the presence of quantum fluctuations have been widely studied, the fate of the complementary non-analytic features -- shaped as half-moons and stars -- arising from adjacent shallow dispersive bands has remained unexplored. Here, we address this que…
▽ More
Pinch point singularities, associated with flat band magnetic excitations, are tell-tale signatures of Coulomb spin liquids. While their properties in the presence of quantum fluctuations have been widely studied, the fate of the complementary non-analytic features -- shaped as half-moons and stars -- arising from adjacent shallow dispersive bands has remained unexplored. Here, we address this question for the spin $S=1/2$ Heisenberg antiferromagnet on the kagome lattice with second and third neighbor couplings, which allows one to tune the classical ground state from flat bands to being governed by shallow dispersive bands for intermediate coupling strengths. Employing the complementary strengths of variational Monte Carlo, pseudo-fermion functional renormalization group, and density-matrix renormalization group, we establish the quantum phase diagram. The U(1) Dirac spin liquid ground state of the nearest-neighbor antiferromagnet remains remarkably robust till intermediate coupling strengths when it transitions into a pinwheel valence bond crystal displaying signatures of half-moons in its structure factor. Our work thus identifies a microscopic setting that realizes one of the proximate orders of the Dirac spin liquid identified in a recent work [Song, Wang, Vishwanath, He, Nat. Commun. 10, 4254 (2019)]. For larger couplings, we obtain a collinear magnetically ordered ground state characterized by star-like patterns.
△ Less
Submitted 1 June, 2022;
originally announced June 2022.
-
Functional renormalization of spinless triangular-lattice fermions: $N$-patch vs. truncated-unity scheme
Authors:
Nico Gneist,
Dominik Kiese,
Ravn Henkel,
Ronny Thomale,
Laura Classen,
Michael M. Scherer
Abstract:
We study competing orders of spinless fermions in the triangular-lattice Hubbard model with nearest-neighbor interaction. We calculate the effective, momentum-resolved two-particle vertex in an unbiased way in terms of the functional renormalization group method and compare two different schemes for the momentum discretization, one based on dividing the Fermi surface into patches and one based on…
▽ More
We study competing orders of spinless fermions in the triangular-lattice Hubbard model with nearest-neighbor interaction. We calculate the effective, momentum-resolved two-particle vertex in an unbiased way in terms of the functional renormalization group method and compare two different schemes for the momentum discretization, one based on dividing the Fermi surface into patches and one based on a channel decomposition. We study attractive and repulsive nearest-neighbor interaction and find a competition of pairing and charge instabilities. In the attractive case, a Pomeranchuk instability occurs at Van Hove filling and $f$-wave and $p$-wave pairing emerge when the filling is reduced. In the repulsive case, we obtain a charge density wave at Van Hove filling and extended $p$-wave pairing with reduced filling. The $p$-wave pairing solution is doubly degenerate and can realize chiral $p+ip$ superconductivity with different Chern numbers in the ground state. We discuss implications for strongly correlated spin-orbit coupled hexagonal electron systems such as moiré heterostructures.
△ Less
Submitted 25 May, 2022;
originally announced May 2022.
-
Benchmark Calculations of Multiloop Pseudofermion fRG
Authors:
Marc K. Ritter,
Dominik Kiese,
Tobias Müller,
Fabian B. Kugler,
Ronny Thomale,
Simon Trebst,
Jan von Delft
Abstract:
The pseudofermion functional renormalization group (pffRG) is a computational method for determining zero-temperature phase diagrams of frustrated quantum magnets. In a recent methodological advance, the commonly employed Katanin truncation of the flow equations was extended to include multiloop corrections, thereby capturing additional contributions from the three-particle vertex [ arXiv:2011.012…
▽ More
The pseudofermion functional renormalization group (pffRG) is a computational method for determining zero-temperature phase diagrams of frustrated quantum magnets. In a recent methodological advance, the commonly employed Katanin truncation of the flow equations was extended to include multiloop corrections, thereby capturing additional contributions from the three-particle vertex [ arXiv:2011.01268 , arXiv:2011.01269 ]. This development has also stimulated significant progress in the numerical implementation of pffRG, allowing one to track the evolution of pseudofermion vertices under the renormalization group flow with unprecedented accuracy. However, cutting-edge solvers differ in their integration algorithms, heuristics to discretize Matsubara frequency grids, and more. To lend confidence in the numerical robustness of state-of-the-art multiloop pffRG codes, we present and compare results produced with two independently developed and algorithmically distinct solvers for Heisenberg models on three-dimensional lattice geometries. Using the cubic lattice Heisenberg (anti)ferromagnet with nearest and next-nearest neighbor interactions as a generic benchmark model, we find the two codes to quantitatively agree, often up to several orders of magnitude in digital precision, both on the level of spin-spin correlation functions and renormalized fermionic vertices for varying loop orders. These benchmark calculations further substantiate the usage of multiloop pffRG solvers to tackle unconventional forms of quantum magnetism.
△ Less
Submitted 24 March, 2022;
originally announced March 2022.
-
Moments and multiplets in moiré materials: A pseudo-fermion functional renormalization group for spin-valley models
Authors:
Lasse Gresista,
Dominik Kiese,
Simon Trebst
Abstract:
The observation of strongly-correlated states in moiré systems has renewed the conceptual interest in magnetic systems with higher SU(4) spin symmetry, e.g. to describe Mott insulators where the local moments are coupled spin-valley degrees of freedom. Here, we discuss a numerical renormalization group scheme to explore the formation of spin-valley ordered and unconventional spin-valley liquid sta…
▽ More
The observation of strongly-correlated states in moiré systems has renewed the conceptual interest in magnetic systems with higher SU(4) spin symmetry, e.g. to describe Mott insulators where the local moments are coupled spin-valley degrees of freedom. Here, we discuss a numerical renormalization group scheme to explore the formation of spin-valley ordered and unconventional spin-valley liquid states at zero temperature based on a pseudo-fermion representation. Our generalization of the conventional pseudo-fermion functional renormalization group approach for $\mathfrak{su}$(2) spins is capable of treating diagonal and off-diagonal couplings of generic spin-valley exchange Hamiltonians in the self-conjugate representation of the $\mathfrak{su}$(4) algebra. To achieve proper numerical efficiency, we derive a number of symmetry constraints on the flow equations that significantly limit the number of ordinary differential equations to be solved. As an example system, we investigate a diagonal SU(2)$_{\textrm{spin}}$ $\otimes$ U(1)$_{\textrm{valley}}$ model on the triangular lattice which exhibits a rich phase diagram of spin and valley ordered phases.
△ Less
Submitted 10 February, 2022;
originally announced February 2022.
-
TMDs as a platform for spin liquid physics: A strong coupling study of twisted bilayer WSe$_2$
Authors:
Dominik Kiese,
Yuchi He,
Ciarán Hickey,
Angel Rubio,
Dante M. Kennes
Abstract:
The advent of twisted moiré heterostructures as a playground for strongly correlated electron physics has led to a plethora of experimental and theoretical efforts seeking to unravel the nature of the emergent superconducting and insulating states. Amongst these layered compositions of two dimensional materials, transition metal dichalcogenides (TMDs) are by now appreciated as highly-tunable platf…
▽ More
The advent of twisted moiré heterostructures as a playground for strongly correlated electron physics has led to a plethora of experimental and theoretical efforts seeking to unravel the nature of the emergent superconducting and insulating states. Amongst these layered compositions of two dimensional materials, transition metal dichalcogenides (TMDs) are by now appreciated as highly-tunable platforms to simulate reinforced electronic interactions in the presence of low-energy bands with almost negligible bandwidth. Here, we focus on the twisted homobilayer WSe$_2$ and the insulating phase at half-filling of the flat bands reported therein. More specifically, we explore the possibility of realizing quantum spin liquid (QSL) physics on the basis of a strong coupling description, including up to second nearest neighbor Heisenberg couplings $J_1$ and $J_2$, as well as Dzyaloshinskii-Moriya (DM) interactions. Mapping out the global phase diagram as a function of an out-of-plane displacement field, we indeed find evidence for putative QSL states, albeit only close to SU$(2)$ symmetric points. In the presence of finite DM couplings and XXZ anisotropy, long-range order is predominantly present, with a mix of both commensurate and incommensurate magnetic phases.
△ Less
Submitted 19 October, 2021;
originally announced October 2021.
-
Multiloop functional renormalization group approach to quantum spin systems
Authors:
Dominik Kiese,
Tobias Mueller,
Yasir Iqbal,
Ronny Thomale,
Simon Trebst
Abstract:
Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing to capture their scale-dependent nature. The functional renormalization group (FRG) allows to continuously evolve a microscopic model action to an effective low-energy action as a function of decreasing energy scales via an exact…
▽ More
Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing to capture their scale-dependent nature. The functional renormalization group (FRG) allows 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 transcription of a recently developed multiloop truncation approach for electronic FRG calculations to the pseudo-fermion functional renormalization group (pf-FRG) 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 integro-differential 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.
△ Less
Submitted 11 June, 2021; v1 submitted 2 November, 2020;
originally announced November 2020.
-
Cavity-induced quantum spin liquids
Authors:
Alessio Chiocchetta,
Dominik Kiese,
Carl Philipp Zelle,
Francesco Piazza,
Sebastian Diehl
Abstract:
Quantum spin liquids provide paradigmatic examples of highly entangled quantum states of matter. Frustration is the key mechanism to favor spin liquids over more conventional magnetically ordered states. Here we propose to engineer frustration by exploiting the coupling of quantum magnets to the quantized light of an optical cavity. The interplay between the quantum fluctuations of the electro-mag…
▽ More
Quantum spin liquids provide paradigmatic examples of highly entangled quantum states of matter. Frustration is the key mechanism to favor spin liquids over more conventional magnetically ordered states. Here we propose to engineer frustration by exploiting the coupling of quantum magnets to the quantized light of an optical cavity. The interplay between the quantum fluctuations of the electro-magnetic field and the strongly correlated electrons results in a tunable long-range interaction between localized spins. This cavity-induced frustration robustly stabilizes spin liquid states, which occupy an extensive region in the phase diagram spanned by the range and strength of the tailored interaction. Remarkably, this occurs even in originally unfrustrated systems, as we showcase for the Heisenberg model on the square lattice.
△ Less
Submitted 26 November, 2021; v1 submitted 24 September, 2020;
originally announced September 2020.
-
Realization of Nearly Dispersionless Bands with Strong Orbital Anisotropy from Destructive Interference in Twisted Bilayer MoS2
Authors:
Lede Xian,
Martin Claassen,
Dominik Kiese,
Michael M. Scherer,
Simon Trebst,
Dante M. Kennes,
Angel Rubio
Abstract:
Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise to emergent phenomena such as superconductivity or correlated insulating states. Here,we use an ab initio based approach to characterize the electronic properties of twisted bilayer…
▽ More
Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise to emergent phenomena such as superconductivity or correlated insulating states. Here,we use an ab initio based approach to characterize the electronic properties of twisted bilayer MoS2. We report that, in marked contrast to twisted bilayer graphene, slightly hole-doped MoS2 realizes a strongly asymmetric px-py Hubbard model on the honeycomb lattice, with two almost entirely dispersionless bands emerging due to destructive interference. We study the collective behavior of twisted bilayer MoS2 in the presence of interactions, and characterize an array of different magnetic and orbitally-ordered correlated phases,which may be susceptible to quantum fluctuations giving rise to exotic, purely quantum, states of matter.
△ Less
Submitted 6 April, 2020;
originally announced April 2020.
-
Emergence and stability of spin-valley entangled quantum liquids in moiré heterostructures
Authors:
Dominik Kiese,
Finn Lasse Buessen,
Ciarán Hickey,
Simon Trebst,
Michael M. Scherer
Abstract:
Twisting moiré heterostructures to the flatband regime allows for the formation of strongly correlated quantum states, since the dramatic reduction of the bandwidth can cause the residual electronic interactions to set the principal energy scale. An effective description for such correlated moiré heterostructures, derived in the strong-coupling limit at integer filling, generically leads to spin-v…
▽ More
Twisting moiré heterostructures to the flatband regime allows for the formation of strongly correlated quantum states, since the dramatic reduction of the bandwidth can cause the residual electronic interactions to set the principal energy scale. An effective description for such correlated moiré heterostructures, derived in the strong-coupling limit at integer filling, generically leads to spin-valley Heisenberg models. Here we explore the emergence and stability of spin liquid behavior in an SU(2)$^{\mathrm{spin}}\otimes$SU(2)$^{\mathrm{valley}}$ Heisenberg model upon inclusion of Hund's-induced and longer-ranged exchange couplings, employing a pseudofermion functional renormalization group approach. We consider two lattice geometries, triangular and honeycomb (relevant to different moiré heterostructures), and find, for both cases, an extended parameter regime surrounding the SU(4) symmetric point where no long-range order occurs, indicating a stable realm of quantum spin liquid behavior. For large Hund's coupling, we identify the adjacent magnetic orders, with both antiferromagnetic and ferromagnetic ground states emerging in the separate spin and valley degrees of freedom. For both lattice geometries the inclusion of longer-ranged exchange couplings is found to have both stabilizing and destabilizing effects on the spin liquid regime depending on the sign of the additional couplings.
△ Less
Submitted 22 July, 2019;
originally announced July 2019.
-
Spin-orbit entangled j=1/2 moments in Ba$_2$CeIrO$_6$ -- a frustrated fcc quantum magnet
Authors:
A. Revelli,
C. C. Loo,
D. Kiese,
P. Becker,
T. Fröhlich,
T. Lorenz,
M. Moretti Sala,
G. Monaco,
F. L. Buessen,
J. Attig,
M. Hermanns,
S. V. Streltsov,
D. I. Khomskii,
J. van den Brink,
M. Braden,
P. H. M. van Loosdrecht,
S. Trebst,
A. Paramekanti,
M. Grüninger
Abstract:
We establish the double perovskite Ba$_2$CeIrO$_6$ as a nearly ideal model system for j=1/2 moments, with resonant inelastic x-ray scattering indicating a deviation of less than 1% from the ideally cubic j=1/2 state. The local j=1/2 moments form an fcc lattice and are found to order antiferromagnetically at $T_N$=14K, more than an order of magnitude below the Curie-Weiss temperature. Model calcula…
▽ More
We establish the double perovskite Ba$_2$CeIrO$_6$ as a nearly ideal model system for j=1/2 moments, with resonant inelastic x-ray scattering indicating a deviation of less than 1% from the ideally cubic j=1/2 state. The local j=1/2 moments form an fcc lattice and are found to order antiferromagnetically at $T_N$=14K, more than an order of magnitude below the Curie-Weiss temperature. Model calculations show that the geometric frustration of the fcc Heisenberg antiferromagnet is further enhanced by a next-nearest neighbor exchange, indicated by ab initio theory. Magnetic order is driven by a bond-directional Kitaev exchange and by local distortions via a strong magneto-elastic effect - both effects are typically not expected for j=1/2 compounds making Ba2CeIrO6 a riveting example for the rich physics of spin-orbit entangled Mott insulators.
△ Less
Submitted 2 September, 2019; v1 submitted 18 January, 2019;
originally announced January 2019.