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Johannes Reuther

Publications and source records attributed to Johannes Reuther.

At least 19 recordsLinked to original sources

Fractional vortices in a spin-isotropic spiral spin liquid

Spiral spin liquids are magnetic states whose classical ground-state manifold consists of planar incommensurate spin spirals with wave vectors lying on a continuous ring or surface in reciprocal space. The resulting subextensive degeneracy suppresses magnetic long-range order and gives rise to liquid-like behavior. Despite numerous material realizations and theoretical investigations, the structure of low-temperature spin configurations of spin-isotropic Heisenberg spiral spin liquids has remained poorly understood. Here, we classify and characterize the classical topological defects supported by these systems. We uncover a rich family of vortex types involving concerted windings of spin directions, spiral-plane normals, and wave-vector orientations, yielding a $\mathbb{Z} \times \mathbb{Z}_2$ classification. Remarkably, the elementary defects are half-vortices carrying fractional $2π$ windings in both spin and momentum space and obey fusion rules resembling to those of Ising anyons. Large-scale classical simulations of a square-lattice spiral spin liquid reveal that these vortices are dense in the spiral-spin-liquid regime, and bind tightly below an order-by-disorder phase transition, eventually fusing to vacuum.

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Reentrant behavior and possible $2/3$ magnetization plateau on the double-trillium langbeinite K$_2$Ni$_2$(SO$_4$)$_3$

K$_2$Ni$_2$(SO$_4$)$_3$ is a member of the langbeinite family, consisting of two intertwined $S=1$ trillium lattices, out of which one is strongly coupled (strong-TL) and the other is weakly coupled (weak-TL). Further inter-trillium interactions give rise to a highly-frustrated Heisenberg Hamiltonian. Despite ordering at low temperatures, K$_2$Ni$_2$(SO$_4$)$_3$ lies close in parameter space to a spin-liquid region that surrounds the tetratrillium limit, where each triangle belonging to strong-TL turns into a tetrahedron by connecting to a single spin from weak-TL. Here, we compare the experimentally determined magnetization process using pulsed magnetic fields up to $40$ T with classical Monte Carlo calculations, uncovering a series of phase transitions at both low and intermediate fields. Furthermore, we reveal a signature of a $2/3$ magnetization plateau consisting of a $1/3$ phase on strong-TL and a fully polarized phase on weak-TL. Although in the classical limit no plateau is expected, we find a very prominent dome structure reflecting the tendency of the system to stabilize this particular spin configuration. The presence of a dome leads to a reentrant phenomenon in which the system recovers the Hamiltonian symmetries when increasing the magnetic field. Finally, we show that this plateau-like phase is also present in the classical Heisenberg model on the single trillium and tetratrillium lattices, indicating its possible presence in the large family of double-trillium langbeinite compounds. Our findings motivate future studies on the presence of the plateau phase in the quantum limit of both trillium and double-trillium materials within the langbeinite family.

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Gapless fracton quantum spin liquid and emergent photons in a 2D spin-1 model

Gapless fracton quantum spin liquids are exotic phases of matter described by higher-rank U(1) gauge theories which host gapped and immobile fracton matter excitations as well as gapless photons. Despite well-known field theories, no spin models beyond purely classical systems have been identified to realize these phases. Using error-controlled Green function Monte Carlo, here we investigate a square lattice spin-1 model that shows precise signatures of a fracton quantum spin liquid without indications of conventional ordering. Specifically, the magnetic response exhibits characteristic patterns of suppressed pinch points that accurately match the prediction of a rank-2 U(1) field theory and reveals the existence of emergent photon excitations in 2+1 spacetime dimensions. Remarkably, this type of fracton quantum spin liquid is not only identified in the system's ground state but also in generic low-energy sectors of a strongly fragmented Hilbert space.

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Classical fracton spin liquid and Hilbert space fragmentation in a 2D spin-$1/2$ model

Classical U(1) fracton spin liquids feature an extensive ground state degeneracy and follow an effective description in terms of a tensor Gauss' law where charges, so-called fractons, have restricted mobility. Here we introduce a simple spin model that realizes such a state by straightforward discretization of the higher-rank gauge theory on a square lattice. The simplicity of this construction offers direct insights into the system's fundamental fractonic properties, such as real-space fracton configurations, height-field representation of the classical ground state manifold as well as properties of local and non-local fluctuations within the fracton-free subspace. By sampling classical Ising states from the extensive ground state manifold, we show that the effective tensor Gauss' law remains intact when explicitly enforcing the spin-1/2 length constraint, demonstrating the existence of a classical Ising fracton spin liquid. However, we observe that perturbative quantum effects are insufficient to efficiently tunnel between classical ground states, leading to severe Hilbert space fragmentation which obscures fractonic quantum behavior. Specifically, by simulating the spin-1/2 quantum model with Green function Monte Carlo as a function of the Rokhsar-Kivelson potential, we find that the system supports either magnetic long-range order or a classical spin liquid. Our findings highlight the crucial role of Hilbert-space fragmentation in fractonic spin systems but also indicate ways to mitigate such effects via increasing the spin magnitude to $S=1$, investigated in a companion paper.

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Thermodynamics of the Heisenberg antiferromagnet on the maple-leaf lattice

We study the Heisenberg antiferromagnet on the maple-leaf lattice using several numerical approaches, focusing on the numerical linked-cluster expansion (NLCE), which exhibits an unconventional convergence extending to low and even zero temperatures. We evaluate thermodynamic properties as well as spin-spin correlations through the equal-time structure factor. Within NLCE the specific heat capacity reveals a two-peak structure at $T_1 \approx 0.479\,J$ and $T_2 \approx 0.131\,J$, reminiscent of the corresponding result for the triangular lattice. At intermediate temperatures, the spin-spin structure factor develops features that reflect the absence of reflection symmetry in the lattice. The zero-temperature convergence of NLCE enables reliable estimates of the ground-state energy and points to a short-range correlated paramagnetic ground state composed of resonating hexagonal motifs. The NLCE results are benchmarked against Pseudo-Majorana Functional Renormalization Group, finite-temperature Lanczos, and classical Monte Carlo simulations.

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Compact localized fermions and Ising anyons in a chiral spin liquid

Quasiparticle hybridization remains a major challenge to realizing and controlling exotic states of matter in existing quantum simulation platforms. We report the absence of hybridization for compact localized states (CLS) emerging in the chiral spin liquid described by the Yao-Kivelson model. The CLS form due to destructive quantum interference at fine-tuned coupling constants and populate perfectly flat quasiparticle bands on an effective kagome lattice. Using a formalism for general Majorana-hopping Hamiltonians, we derive exact expressions for CLS for various flux configurations and both for the topological and trivial phases of the model. In addition to finite-energy matter fermions with characteristic spin-spin correlations, we construct compact localized Majorana zero modes attached to $π$-flux excitations, which enable non-Abelian braiding of Ising anyons with minimal separation. Our results inform the quantum simulation of topologically ordered states of matter and open avenues for exploring flat-band physics in quantum spin liquids.

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Spin Liquids on the Tetratrillium Lattice

The tetratrillium lattice has recently been proposed as responsible for the dynamical properties observed in the $S=1$ langbeinite compound K$_2$Ni$_2$(SO$_4$)$_3$. Here, we study in detail the classical spin liquid properties of this lattice of tri-coordinated tetrahedra using classical Monte Carlo and large-$N$ theory calculations. In the large-$N$ limit, we find that the system presents a gapped spectrum with flat bottom bands, giving rise to a fragile spin liquid with exponentially decaying correlations according to the classification of classical spin liquids. We confirm that this scenario also holds in the more realistic Ising and Heisenberg cases, for which the system does not exhibit any finite-temperature phase transition, and the low-temperature spin structure factors exhibit excellent quantitative agreement with the large-$N$ theory. We also provide insight into the quantum $S=1/2$ limit by performing pseudo-Majorana functional renormalization group calculations at finite temperatures, and discuss the possible phases that can arise in the ground state due to quantum fluctuations.

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Anharmonic Collective Oscillations in Isotropic Spin Systems and their Spectroscopic Signatures

Spin waves are the fundamental excitations in magnetically ordered spin systems and are ubiquitously observed in magnetic materials. However, the standard understanding of spin waves as collective spin oscillations in an effective harmonic potential does not consider the possibility of soft modes, such as those due to an effective quartic potential. In this work, we show that such quartic potentials arise under very general conditions in a broad class of isotropic spin systems without a fine-tuning of the interaction parameters. Considering models with spin spiral ground states in two and three spatial dimensions, we numerically demonstrate that quartic amplitude spin oscillations produce a fluctuation-induced spin-wave gap which grows with temperature according to a characteristic power-law. In conjunction with a phenomenological theory, the present work provides a general theoretical framework for describing soft spin modes, extending the previously discussed spin dynamics in the presence of order-by-disorder, and highlighting the important role of finite-size effects. Our predictions of a temperature-dependent gap in spiral spin systems could be tested in inelastic neutron scattering experiments, providing direct spectroscopic evidence for thermal effects arising from soft spin modes in magnetic materials.

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Field-induced spin liquid in the decorated square-kagome antiferromagnet nabokoite KCu$_7$TeO$_4$(SO$_4$)$_5$Cl

Quantum antiferromagnets based on the square-kagome lattice are proving to be a fertile platform for realizing nontrivial phenomena in frustrated magnetism. Recently, several decorated square-kagome compounds of the nabokoite family have been synthesized, allowing for experimental exploration of model Hamiltonians. Here, we carry out a theoretical analysis of KCu$_7$TeO$_4$(SO$_4$)$_5$Cl nabokoite using a Heisenberg Hamiltonian derived from density functional theory energy mapping. We employ classical Monte Carlo simulations to explain the two transitions experimentally observed in the low-temperature magnetization curve. Interestingly, the intermediate-field phase is also found in a purely two-dimensional model and is described by a spin liquid featuring subextensive degeneracy with a ferrimagnetic component. We show that this phase can be approximated by a checkerboard lattice in a magnetic field. Finally, we assess the effects of quantum fluctuations in zero fields using the pseudo-Majorana functional renormalization group method.

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Phase diagram of the XXZ pyrochlore model from pseudo-Majorana functional renormalization group

We calculate the magnetic phase diagram of the spin-$1/2$ nearest neighbor XXZ pyrochlore model using the pseudo-Majorana functional renormalization group in the temperature flow formalism. Our phase diagram as a function of temperature and coupling ratio, allowing both longitudinal and transverse couplings to be ferromagnetic and antiferromagnetic, reveals a large non-magnetic regime at low temperatures, which includes the quantum spin ice phase near the antiferromagnetic Ising model, as well as the antiferromagnetic Heisenberg and XY models. We are able to detect magnetic phase transitions via critical finite size scaling down to temperatures two orders of magnitude smaller than the spin interactions, demonstrating the remarkably good performance of our method upon approaching the ground state. Specifically, the low temperature transition from the zero-flux quantum spin ice phase into the transverse ferromagnetic phase shows very good agreement with previous quantum Monte Carlo results. Comparing our findings with classical results, we identify a quantum order-by-disorder effect near the antiferromagnetic XY model. In magnetically disordered regimes, we find characteristic patterns of broadened pinch points in the spin structure factor and investigate their evolution when approaching magnetically ordered phases. We also compute linear responses to lattice symmetry breaking perturbations and identify a possible lattice nematic ground state of the antiferromagnetic XY model.

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Fragile spin liquid in three dimensions

Motivated by the recent appearance of the trillium lattice in the search for materials hosting spin liquids, we study the ground state of the classical Heisenberg model on its linegraph, the trilline lattice. We find that this network realises the recently proposed notion of a fragile spin liquid in three dimensions. Additionally, we analyze the Ising case and argue for a possible $\mathbb{Z}_2$ quantum spin liquid phase in the corresponding quantum dimer model. Like the well-known $U(1)$ spin liquids, the classical phase hosts moment fractionalisation evidenced in the diluted lattice, but unlike these, it exhibits exponential decay both in spin correlations and interactions between fractionalised moments. This provides the first instance of a purely short-range correlated classical Heisenberg spin liquid in three dimensions.

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Competing Gauge Fields and Entropically-Driven Spin Liquid to Spin Liquid Transition in non-Kramers Pyrochlores

Gauge theories are powerful tools in theoretical physics, allowing complex phenomena to be reduced to simple principles, and are used in both high-energy and condensed matter physics. In the latter context, gauge theories are becoming increasingly popular for capturing the intricate spin correlations in spin liquids, exotic states of matter in which the dynamics of quantum spins never ceases, even at absolute zero temperature. We consider a spin system on a three-dimensional pyrochlore lattice where emergent gauge fields not only describe the spin liquid behaviour at zero temperature but crucially determine the system's temperature evolution, with distinct gauge fields giving rise to different spin liquid phases in separate temperature regimes. Focusing first on classical spins, in an intermediate temperature regime, the system shows an unusual coexistence of emergent vector and matrix gauge fields where the former is known from classical spin ice systems while the latter has been associated with fractonic quasiparticles, a peculiar type of excitation with restricted mobility. Upon cooling, the system transitions into a low-temperature phase where an entropic selection mechanism depopulates the degrees of freedom associated with the matrix gauge field, rendering the system spin ice like. We further provide numerical evidence that in the corresponding quantum model, a spin liquid with coexisting vector and matrix gauge fields has a finite window of stability in the parameter space of spin interactions down to zero temperature. Finally, we discuss the relevance of our findings for non-Kramers pyrochlore materials.

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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.

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Phase diagram of the antiferromagnetic $J_1$-$J_2$ spin-$1$ pyrochlore Heisenberg model

We study the phase diagram of the antiferromagnetic $J_1$-$J_2$ Heisenberg model on the pyrochlore lattice with $S=1$ spins at zero and finite temperatures. We use a combination of complementary state-of-the-art quantum many-body approaches such as density matrix renormalization group (DMRG), density-matrix purification and pseudo-Majorana functional renormalization group (PMFRG). We present an efficient approach to preserve the applicability of the PMFRG for spin-1 systems at finite temperatures despite the inevitable presence of unphysical spin states. The good performance of our methods is first demonstrated for the nearest-neighbor pyrochlore Heisenberg model where the finite temperature behavior of the specific heat and uniform susceptibility show excellent agreement within PMFRG and density-matrix purification. Including an antiferromagnetic second neighbor coupling we find that the non-magnetic ground-state phase of the nearest neighbor model extents up to $J_2/J_1 \sim 0.02 $ within DMRG, beyond which magnetic $\boldsymbol{k}=0$ long-range order sets in. Our PMFRG calculations find the phase transition in a similar regime $J_2/J_1\sim 0.035(8)$ which, together with the DMRG result, provides a strong argument for the existence of a small but finite non-magnetic ground-state phase in the spin-1 pyrochlore Heisenberg model. We also discuss the origin of discrepancies between different versions of the functional renormalization group concerning the location of this phase transition.

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Magnetic properties of the spiral spin liquid and surrounding phases in the square lattice XY model

Spiral spin liquids possess a subextensively degenerate ground-state manifold, represented by a continuum of energy minima in reciprocal space. Since a small change of the spiral state wavevector requires a global change of the spin configuration in real space, it is a priori unclear how such systems can fluctuate within the degenerate ground state manifold. Only recently it was proposed that momentum vortices are responsible for the liquidity of the spiral phase and that these systems are closely related to an emergent rank-2 U(1) gauge theory [H. Yan and J. Reuther, Phys. Rev. Research 4, 023175 (2022)]. As a consequence of this gauge structure, four-fold pinch-point singularities were found in a generalized spin correlator. In this article, we use classical Monte Carlo and molecular dynamics calculations to embed the previously studied spiral spin liquid into a broader phase diagram of the square lattice XY model. We find a multitude of unusual phases and phase transitions surrounding the spiral spin liquid such as an effective four-state Potts transition into a colinear double-striped phase resulting from the spontaneous breaking of two coupled $\mathbb{Z}_2$ symmetries. Since this phase is stabilized by entropic effects selecting the momenta away from the spiral manifold, it undergoes a re-entrance phenomenon at low temperatures into a nematic spiral phase. We also observe a region of parameters where the phase transition into the spiral spin liquid does not break any symmetries and where the critical exponents do not match those of standard universality classes. We study the importance of momentum vortices in driving this phase transition and discuss the possibility of a Kosterlitz-Thouless transition of momentum vortices. Finally, we explore the regime where the rank-2 U(1) gauge theory is valid by investigating the four-fold pinch point singularities across the phase diagram

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Classical spin models of the windmill lattice and their relevance for PbCuTe$_2$O$_6$

We investigate classical Heisenberg models on the distorted windmill lattice and discuss their applicability to the spin-$1/2$ spin liquid candidate PbCuTe$_2$O$_6$. We first consider a general Heisenberg model on this lattice with antiferromagnetic interactions $J_n$ ($n=1,2,3,4$) up to fourth neighbors. Setting $J_1=J_2$ (as approximately realized in PbCuTe$_2$O$_6$) we map out the classical ground state phase diagram in the remaining parameter space and identify a competition between $J_3$ and $J_4$ that opens up interesting magnetic scenarios. Particularly, these couplings tune the ground states from coplanar commensurate or non-coplanar incommensurate magnetically ordered states to highly degenerate ground state manifolds with subextensive or extensive degeneracies. In the latter case, we uncover an unusual classical spin liquid defined on a lattice of corner sharing octahedra. We then focus on the particular set of interaction parameters $J_n$ that has previously been proposed for PbCuTe$_2$O$_6$ and investigate the system's incommensurate magnetic ground state order and finite temperature multistage ordering mechanism. We perform extensive finite temperature simulations of the system's dynamical spin structure factor and compare it with published neutron scattering data for PbCuTe$_2$O$_6$ at low temperatures. Our results demonstrate that thermal fluctuations in the classical model can largely explain the signal distribution in the measured spin structure factor but we also identify distinct differences. Our investigations make use of a variety of different analytical and numerical approaches for classical spin systems, such as Luttinger-Tisza, classical Monte Carlo, iterative minimization, and molecular dynamics simulations.

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Temperature flow in pseudo-Majorana functional renormalization for quantum spins

We implement the temperature flow scheme first proposed by Honerkamp and Salmhofer in Phys.~Rev.~B 64, 184516 (2001) into the pseudo-Majorana functional renormalization group method for quantum spin systems. Since the renormalization group parameter in this approach is a physical quantity -- the temperature $T$ -- the numerical efficiency increases significantly compared to more conventional renormalization group parameters, especially when computing finite temperature phase diagrams. We first apply this method to determine the finite temperature phase diagram of the $J_1$-$J_2$ Heisenberg model on the simple cubic lattice where our findings support claims of a vanishingly small nonmagnetic phase around the high frustration point $J_2=0.25J_1$. Perhaps most importantly, we find the temperature flow scheme to be advantageous in detecting finite temperature phase transitions as, by construction, a phase transition is never encountered at an artificial, unphysical cutoff parameter. Finally, we apply the temperature flow scheme to the dipolar XXZ model on the square lattice where we find a rich phase diagram with a large non-magnetic regime down to the lowest accessible temperatures. Wherever a comparison with error-controlled (quantum) Monte Carlo methods is applicable, we find excellent quantitative agreement with less than $5\%$ deviation from the numerically exact results.

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$\require{mhchem}$Quantum paramagnetism in the decorated square-kagome antiferromagnet $\ce{Na6Cu7BiO4(PO4)4Cl3}$

$\require{mhchem}$The square-kagome lattice Heisenberg antiferromagnet is a highly frustrated Hamiltonian whose material realizations have been scarce. We theoretically investigate the recently synthesized $\ce{Na6Cu7BiO4(PO4)4Cl3}$ where a Cu$^{2+}$ spin-$1/2$ square-kagome lattice (with six site unit cell) is decorated by a seventh magnetic site alternatingly above and below the layers. The material does not show any sign of long-range magnetic order down to 50 mK despite a Curie-Weiss temperature of $-212$ K indicating a quantum paramagnetic phase. Our DFT energy mapping elicits a purely antiferromagnetic Hamiltonian that features longer range exchange interactions beyond the pure square-kagome model and, importantly, we find the seventh site to be strongly coupled to the plane. We combine two variational Monte Carlo approaches, pseudo-fermion/Majorana functional renormalization group and Schwinger-Boson mean field calculations to show that the complex Hamiltonian of $\ce{Na6Cu7BiO4(PO4)4Cl3}$ still features a nonmagnetic ground state. We explain how the seventh Cu$^{2+}$ site actually aids the stabilization of the disordered state. We predict static and dynamic spin structure factors to guide future neutron scattering experiments.

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