arXiv subjects

Johannes Reuther

Publications and source records attributed to Johannes Reuther.

At least 37 records · Page 2Linked to original sources

arXiv2023

$\require{mhchem}$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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arXiv2023

Pseudo-fermion functional renormalization group with magnetic fields

The pseudo-fermion functional renormalization group is generalized to treat spin Hamiltonians with finite magnetic fields, enabling its application to arbitrary spin lattice models with linear and bilinear terms in the spin operators. We discuss in detail an efficient numerical implementation of this approach making use of the system's symmetries. Particularly, we demonstrate that the inclusion of small symmetry breaking magnetic seed fields regularizes divergences of the susceptibility at magnetic phase transitions. This allows the investigation of spin models within magnetically ordered phases at $T=0$ in the physical limit of vanishing renormalization group parameter $Λ$. We explore the capabilities and limitations of this method extension for Heisenberg models on the square, honeycomb and triangular lattices. While the zero-field magnetizations of these systems are systematically overestimated, the types of magnetic orders are correctly captured, even if the local orientations of the seed field are chosen differently than the spin orientations of the realized magnetic order. Furthermore, the magnetization curve of the square lattice Heisenberg antiferromagnet shows good agreement with error controlled methods. In the future, the inclusion of magnetic fields in the pseudo-fermion functional renormalization group, which is also possible in three dimensional spin systems, will enable a variety of additional interesting applications such as the investigation of magnetization plateaus.

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arXiv2023

Classical and quantum phases of the pyrochlore $S=1/2$ magnet with Heisenberg and Dzyaloshinskii-Moriya interactions

We investigate the ground state and critical temperature phase diagrams of the classical and quantum $S=1/2$ pyrochlore lattice with nearest-neighbor Heisenberg and Dzyaloshinskii-Moriya interactions (DMI). We consider ferromagnetic and antiferromagnetic Heisenberg exchange as well as direct and indirect DMI. Classically, three ground states are found: all-in/all-out, ferromagnetic and a locally ordered $XY$ phase, known as $Γ_5$, which displays an accidental classical U(1) degeneracy. Quantum zero-point energy fluctuations are found to lift the classical ground state degeneracy and select the $ψ_3$ state in most parts of the $Γ_5$ regime. Likewise, thermal fluctuations treated classically, select the $ψ_3$ state at $T=0^+$. In contrast, classical Monte Carlo finds that the system orders at $T_c$ in the $ψ_2$ state of $Γ_5$ for antiferromagnetic Heisenberg exchange and indirect DMI with a transition from $ψ_2$ to $ψ_3$ at a temperature $T_{Γ_5} <T_c$. The same method finds that the system orders via a single transition at $T_c$ directly into the $ψ_3$ state for most of the region with ferromagnetic Heisenberg exchange and indirect DMI. Such ordering behavior at $T_c$ for the $S=1/2$ quantum model is corroborated by high-temperature series expansion. To investigate the $T=0$ quantum ground states, we apply the pseudo-fermion functional renormalization group (PFFRG). The quantum paramagnetic phase of the pure antiferromagnetic $S=1/2$ Heisenberg model is found to persist over a finite region in the phase diagram for both direct or indirect DMI. We find that near the boundary of ferromagnetism and $Γ_5$ antiferromagnetism the system may potentially realize a quantum ground state lacking conventional magnetic order. Otherwise, for the largest portion of the phase diagram, PFFRG finds the same ordered phases as in the classical model.

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arXiv2023

Quantum effects on unconventional pinch point singularities

Fracton phases are a particularly exotic type of quantum spin liquids where the elementary quasiparticles are intrinsically immobile. These phases may be described by unconventional gauge theories known as tensor or multipolar gauge theories, characteristic for so-called type-I or type-II fracton phases, respectively. Both variants have been associated with distinctive singular patterns in the spin structure factor, such as multifold pinch points for type-I and quadratic pinch points for type-II fracton phases. Here, we assess the impact of quantum fluctuations on these patterns by numerically investigating the spin $S=1/2$ quantum version of a classical spin model on the octahedral lattice featuring exact realizations of multifold and quadratic pinch points, as well as an unusual pinch line singularity. Based on large scale pseudo fermion and pseudo Majorana functional renormalization group calculations, we take the intactness of these spectroscopic signatures as a measure for the stability of the corresponding fracton phases. We find that in all three cases, quantum fluctuations significantly modify the shape of pinch points or lines by smearing them out and shifting signal away from the singularities in contrast to effects of pure thermal fluctuations. This indicates possible fragility of these phases and allows us to identify characteristic fingerprints of their remnants.

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arXiv2023

Bilinear Majorana representations for spin operators with spin magnitudes $S>1/2$

We present a classification of bilinear Majorana representations for spin-$S$ operators, based on the real irreducible matrix representations of SU(2). We identify two types of such representations: While the first type can be straightforwardly mapped onto standard complex fermionic representations of spin-$S$ operators, the second type realizes spin amplitudes $S=s(s+1)/4$ with $s\in\mathbb{N}$ and can be considered particularly efficient in representing spins via fermions. We show that for $s=1$ and $s=2$ this second type reproduces known spin-$1/2$ and spin-$3/2$ Majorana representations and we prove that these are the only bilinear Majorana representations that do not introduce any unphysical spin sectors. While for $s>2$, additional unphysical spin spaces are unavoidable they are less numerous than for more standard complex fermionic representations and carry comparatively small spin amplitudes. We apply our Majorana representations to exactly solvable small spin clusters and confirm that their low energy properties remain unaffected by unphysical spin sectors, making our representations useful for auxiliary-particle based methods.

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arXiv2022

Enhanced symmetry-breaking tendencies in the $S=1$ pyrochlore antiferromagnet

We investigate the ground-state properties of the nearest-neighbor $S=1$ pyrochlore Heisenberg antiferromagnet using two complementary numerical methods, density-matrix renormalization group (DMRG) and pseudofermion functional renormalization group (PFFRG). Within DMRG, we are able to reliably study clusters with up to 48 spins by keeping 20 000 SU(2) states. The investigated 32-site and 48-site clusters both show indications of a robust $C_3$ rotation symmetry breaking of the ground-state spin correlations and the 48-site cluster additionally features inversion symmetry breaking. Our PFFRG analysis of various symmetry-breaking perturbations corroborates the findings of either $C_3$ or a combined $C_3$/inversion symmetry breaking. Moreover, in both methods the symmetry-breaking tendencies appear to be more pronounced than in the $S=1/2$ system.

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arXiv2022

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.

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arXiv2022

Quantitative functional renormalization for three-dimensional quantum Heisenberg models

We employ a recently developed variant of the functional renormalization group method for spin systems, the so-called pseudo Majorana functional renormalization group, to investigate three-dimensional spin-1/2 Heisenberg models at finite temperatures. We study unfrustrated and frustrated Heisenberg systems on the simple cubic and pyrochlore lattices. Comparing our results with other quantum many-body techniques, we demonstrate a high quantitative accuracy of our method. Particularly, for the unfrustrated simple cubic lattice antiferromagnet ordering temperatures obtained from finite-size scaling of one-loop data deviate from error controlled quantum Monte Carlo results by $\sim5\%$ and we further confirm the established values for the critical exponent $ν$ and the anomalous dimension $η$. As the PMFRG yields results in good agreement with QMC, but remains applicable when the system is frustrated, we next treat the pyrochlore Heisenberg antiferromagnet as a paradigmatic magnetically disordered system and find nearly perfect agreement of our two-loop static homogeneous susceptibility with other methods. We further investigate the broadening of pinch points in the spin structure factor as a result of quantum and thermal fluctuations and confirm a finite width in the extrapolated limit $T\rightarrow0$. While extensions towards higher loop orders $\ell$ seem to systematically improve our approach for magnetically disordered systems we also discuss subtleties when increasing $\ell$ in the presence of magnetic order. Overall, the pseudo Majorana functional renormalization group is established as a powerful many-body technique in quantum magnetism with a wealth of possible future applications.

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arXiv2021

Low energy structure of spiral spin liquids

In this work we identify a previously unexplored type of topological defect in spiral spin liquids -- the momentum vortex -- and reveal its dominant role in shaping the low energy physics of such systems. Spiral spin liquids are a class of classical spin liquids featuring sub-extensively degenerate ground states. They are distinct from spin liquids on geometrically frustrated lattices, in which the ground state degeneracy is extensive and connected by local spin flips. Despite a handful of experimental realizations and many theoretical studies, a concrete physical picture of their spin liquidity has not been established so far. In this work, we study a 2D spiral spin liquid model to answer this question. We find that the local momentum vector field can carry topological defects in the form of vortices, which, however, have very different properties from the commonly known spin vortices. The fluctuations of such vortices lead the system into a liquid phase at intermediate temperatures. Furthermore, the effective low energy theory of such vortices indicates their equivalence to quadrupoles of fractons in a rank-2 U(1) gauge theory or, alternatively, to quadrupoles of disclinations in elasticity theory. At very low temperatures, the system freezes into a glassy state in which these vortices form a rigid network with straight-line domain walls. Our work sheds light on the nature of spiral spin liquids and also paves the way toward understanding their quantum limit.

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arXiv2021

Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite

We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetry-inequivalent nearest-neighbor antiferromagnetic Heisenberg couplings Jhexagon, J and J', and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear Q = 0 magnetic phase, two unusual non-collinear coplanar Q = (1/3,1/3) phases and a classical spin liquid phase with a degenerate manifold of non-coplanar ground states, resembling the jammed spin liquid phase found in the context of a bond-disordered kagome antiferromagnet. We further show with density functional theory calculations that the recently synthesized Y-kapellasite Y3Cu9(OH)19Cl8 is a realization of this model and predict its ground state to lie in the region of Q = (1/3,1/3) order, which remains stable even after inclusion of quantum fluctuation effects within variational Monte Carlo and pseudofermion functional renormalization group. The presented model opens a new direction in the study of kagome antiferromagnets.

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arXiv2021

Pinwheel valence-bond-crystal ground state of the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on the $shuriken$ lattice

We investigate the nature of the ground-state of the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on the $shuriken$ lattice by complementary state-of-the-art numerical techniques, such as variational Monte Carlo (VMC) with versatile Gutzwiller-projected Jastrow wave functions, unconstrained multi-variable variational Monte Carlo (mVMC), and pseudo-fermion/Majorana functional renormalization group (PF/PM-FRG) methods. We establish the presence of a quantum paramagnetic ground state and investigate its nature, by classifying symmetric and chiral quantum spin liquids, and inspecting their instabilities towards competing valence-bond-crystal (VBC) orders. Our VMC analysis reveals that a VBC with a pinwheel structure emerges as the lowest-energy variational ground state, and it is obtained as an instability of the U(1) Dirac spin liquid. Analogous conclusions are drawn from mVMC calculations employing accurate BCS pairing states supplemented by symmetry projectors, which confirm the presence of pinwheel VBC order by a thorough analysis of dimer-dimer correlation functions. Our work highlights the nontrivial role of quantum fluctuations via the Gutzwiller projector in resolving the subtle interplay between competing orders.

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arXiv2021

Dimerization tendencies of the pyrochlore Heisenberg antiferromagnet: A functional renormalization group perspective

We investigate the ground state properties of the spin-$1/2$ pyrochlore Heisenberg antiferromagnet using pseudofermion functional renormalization group techniques. The first part of our analysis is based on an enhanced parton mean-field approach which takes into account fluctuation effects from renormalized vertex functions. Our implementation of this technique extends earlier approaches and resolves technical difficulties associated with a diagrammatic overcounting. Using various parton ansätze for quantum spin liquids, dimerized and nematic states our results indicate a tendency for lattice symmetry breaking in the ground state. While overall quantum spin liquids seem unfavorable in this system, the recently proposed monopole state still shows the strongest support among all spin liquid ansätze that we have tested, which is further confirmed by our complementary variational Monte Carlo calculations. In the second part of our investigation, we probe lattice symmetry breaking more directly by applying the pseudofermion functional renormalization group to perturbed systems. Our results from this technique confirm that the system's ground state either exhibits broken $C_3$ rotation symmetry, or a combination of inversion and $C_3$ symmetry breaking.

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arXiv2021

Frustrated Quantum Spins at finite Temperature: Pseudo-Majorana functional RG approach

The pseudofermion functional renormalization group (PFFRG) method has proven to be a powerful numerical approach to treat frustrated quantum spin systems. In its usual implementation, however, the complex fermionic representation of spin operators introduces unphysical Hilbert space sectors which renders an application at finite temperatures inaccurate. In this work, we formulate a general functional renormalization group approach based on Majorana fermions to overcome these difficulties. We, particularly, implement spin operators via an $SO(3)$ symmetric Majorana representation which does not introduce any unphysical states and, hence, remains applicable to quantum spin models at finite temperatures. We apply this scheme, dubbed pseudo Majorana functional renormalization group (PMFRG) method, to frustrated Heisenberg models on small spin clusters as well as square and triangular lattices. Computing the finite temperature behavior of spin correlations and thermodynamic quantities such as free energy and heat capacity, we find good agreement with exact diagonalization and the high-temperature series expansion down to moderate temperatures. We, particularly, observe a significantly enhanced accuracy of the PMFRG compared to the PFFRG at finite temperatures. More generally, we conclude that the development of functional renormalization group approaches with Majorana fermions considerably extends the scope of applicability of such methods.

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arXiv2021

Magnetic field induced quantum spin liquid in the two coupled trillium lattices of K$_2$Ni$_2$(SO$_4$)$_3$

Quantum spin liquids are exotic states of matter which form when strongly frustrated magnetic interactions induce a highly entangled quantum paramagnet far below the energy scale of the magnetic interactions. Three-dimensional cases are especially challenging due to the significant reduction of the influence of quantum fluctuations. Here, we report the magnetic characterization of {\kni} forming a three dimensional network of Ni$^{2+}$ spins. Using density functional theory calculations we show that this network consists of two interconnected spin-1 trillium lattices. In the absence of a magnetic field, magnetization, specific heat, neutron scattering and muon spin relaxation experiments demonstrate a highly correlated and dynamic state, coexisting with a peculiar, very small static component exhibiting a strongly renormalized moment. A magnetic field $B \gtrsim 4$ T diminishes the ordered component and drives the system in a pure quantum spin liquid state. This shows that a system of interconnected $S=1$ trillium lattices exhibit a significantly elevated level of geometrical frustration.

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arXiv2020

Fracton excitations in classical frustrated kagome spin models

Fractons are topological quasiparticles with limited mobility. While there exists a variety of models hosting these excitations, typical fracton systems require rather complicated many-particle interactions. Here, we discuss fracton behavior in the more common physical setting of classical kagome spin models with frustrated two-body interactions only. We investigate systems with different types of elementary spin degrees of freedom (three-state Potts, XY, and Heisenberg spins) which all exhibit characteristic subsystem symmetries and fracton-like excitations. The mobility constraints of isolated fractons and bound fracton pairs in the three-state Potts model are, however, strikingly different compared to the known type-I or type-II fracton models. One may still explain these properties in terms of type-I fracton behavior and construct an effective low-energy tensor gauge theory when considering the system as a 2D cut of a 3D cubic lattice model. Our extensive classical Monte-Carlo simulations further indicate a crossover into a low temperature glassy phase where the system gets trapped in metastable fracton states. Moving on to XY spins, we find that in addition to fractons the system hosts fractional vortex excitations. As a result of the restricted mobility of both types of defects, our classical Monte-Carlo simulations do not indicate a Kosterlitz-Thouless transition but again show a crossover into a glassy low-temperature regime. Finally, the energy barriers associated with fractons vanish in the case of Heisenberg spins, such that defect states may continuously decay into a ground state. These decays, however, exhibit a power-law relaxation behavior which leads to slow equilibration dynamics at low temperatures.

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arXiv2020

Projective symmetry group classifications of quantum spin liquids on the simple cubic, body centered cubic, and face centered cubic lattices

We perform extensive classifications of $\mathbb{Z}_2$ quantum spin liquids on the simple cubic, body centered cubic, and face centered cubic lattices using a spin-rotation invariant fermionic projective symmetry group approach. Taking into account that all three lattices share the same point group $O_h$, we apply an efficient gauge where the classification for the simple cubic lattice can be partially carried over to the other two lattices. We identify hundreds of projective representations for each of the three lattices, however, when constructing short-range mean-field models for the fermionic partons (spinons) these phases collapse to only very few relevant cases. We self-consistently calculate the corresponding mean-field parameters for frustrated Heisenberg models on all three lattices with up to third neighbor spin interactions and discuss the spinon dispersions, ground state energies and dynamical spin structure factors. Our results indicate that phases with non-uniform spinon hopping or pairing amplitudes are energetically favored. An unusual situation is identified for the fcc lattice where the spinon dispersion minimizing the mean-field energy features a network of symmetry protected line-like zero modes in reciprocal space. We further discuss characteristic fingerprints of these phases in the dynamical spin structure factor which may help to identify and distinguish them in future numerical or experimental studies.

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arXiv2019

Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians

We address the long-standing problem of the microscopic origin of the richly diverse phenomena in the chromium breathing pyrochlore material family. Combining electronic structure and renormalization group techniques we resolve the magnetic interactions and analyze their reciprocal-space susceptibility. We show that the physics of these materials is principally governed by long-range Heisenberg Hamiltonian interactions, a hitherto unappreciated fact. Our calculations uncover that in these isostructural compounds, the choice of chalcogen triggers a proximity of the materials to classical spin liquids featuring degenerate manifolds of wave-vectors of different dimensions: A Coulomb phase with three-dimensional degeneracy for LiInCr4O8 and LiGaCr4O8, a spiral spin liquid with two-dimensional degeneracy for CuInCr4Se8 and one-dimensional line degeneracies characteristic of the face-centered cubic antiferromagnet for LiInCr4S8, LiGaCr4S8 and CuInCr4S8. The surprisingly complex array of prototypical pyrochlore behaviors we discovered in chromium spinels may inspire studies of transition paths between different semi-classical spin liquids by doping or pressure.

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arXiv2019

$\mathbb{Z}_2$ vortices in the ground states of classical Kitaev-Heisenberg models

The classical nearest neighbor Kitaev-Heisenberg model on the triangular lattice is known to host $\mathbb{Z}_2$ spin-vortices forming a crystalline superstructure in the ground state. The $\mathbb{Z}_2$ vortices in this system can be understood as distortions of the local $120^\circ$ Néel parent order of the Heisenberg-only Hamiltonian. Here, we explore possibilities of stabilizing further types of $\mathbb{Z}_2$ vortex phases in Kitaev-Heisenberg models including those which rely on more complicated types of non-collinear parent orders such as tetrahedral states. We perform extensive scans through large classes of Kitaev-Heisenberg models on different lattices employing a two-step methodology which first involves a mean-field analysis followed by a stochastic iterative minimization approach. When allowing for longer-range Kitaev couplings we identify several new $\mathbb{Z}_2$ vortex phases such as a state based on the $120^\circ$ Néel order on the triangular lattice which shows a coexistence of different $\mathbb{Z}_2$ vortex types. Furthermore, perturbing the tetrahedral order on the triangular lattice with a suitable combination of first and second neighbor Kitaev interactions we find that a kagome-like superstructure of $\mathbb{Z}_2$ vortices may be stabilized where vortices feature a counter-rotating winding of spins on different sublattices. This last phase may also be extended to honeycomb lattices where it is related to cubic types of parent orders. In total, this analysis shows that $\mathbb{Z}_2$ vortex phases appear in much wider contexts than the $120^\circ$ Néel ordered systems previously studied.

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