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Dominik Kiese

Publications and source records attributed to Dominik Kiese.

At least 19 recordsLinked to original sources

Unconventional orders in the maple-leaf ferro-antiferromagnetic Heisenberg model

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.

cond-mat.str-el

Expert Evaluation of LLM World Models: A High-$T_c$ Superconductivity Case Study

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.

cond-mat.supr-con

The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap

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.

cond-mat.str-el

Intertwined Superconductivity and Magnetism from Repulsive Interactions in Kondo Bilayers

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.

cond-mat.str-el

Embedded multi-boson exchange: A step beyond quantum cluster theories

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.

cond-mat.str-el

Pseudo-fermion functional renormalization group for spin models

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.

cond-mat.str-el

Discrete Lehmann representation of three-point functions

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.

physics.comp-ph

Machine learning-based compression of quantum many body physics: PCA and autoencoder representation of the vertex function

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.

cond-mat.str-el

Compressing the two-particle Green's function using wavelets: Theory and application to the Hubbard atom

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.

cond-mat.str-el

MatsubaraFunctions.jl: An equilibrium Green's function library in the Julia programming language

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.

cond-mat.str-el

Spin-valley magnetism on the triangular moiré lattice with SU(4) breaking interactions

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.

cond-mat.str-el

Taming pseudo-fermion functional renormalization for quantum spins: Finite-temperatures and the Popov-Fedotov trick

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.

cond-mat.str-el

Pinch-points to half-moons and up in the stars: the kagome skymap

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.

cond-mat.str-el

Functional renormalization of spinless triangular-lattice fermions: $N$-patch vs. truncated-unity scheme

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.

cond-mat.str-el

Benchmark Calculations of Multiloop Pseudofermion fRG

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.

cond-mat.str-el

Moments and multiplets in moiré materials: A pseudo-fermion functional renormalization group for spin-valley models

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.

cond-mat.str-el

Cavity-induced quantum spin liquids

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.

cond-mat.str-el

TMDs as a platform for spin liquid physics: A strong coupling study of twisted bilayer WSe$_2$

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.

cond-mat.str-el