arXiv subjects

Johannes Reuther

Publications and source records attributed to Johannes Reuther.

At least 55 records · Page 3Linked to original sources

arXiv2019

Functional renormalization group for frustrated magnets with nondiagonal spin interactions

In the field of quantum magnetism, the advent of numerous spin-orbit assisted Mott insulating compounds, such as the family of Kitaev materials, has led to a growing interest in studying general spin models with non-diagonal interactions that do not retain the SU(2) invariance of the underlying spin degrees of freedom. However, the exchange frustration arising from these non-diagonal and often bond-directional interactions for two- and three-dimensional lattice geometries poses a serious challenge for numerical many-body simulation techniques. In this paper, we present an extended formulation of the pseudo-fermion functional renormalization group that is capable of capturing the physics of frustrated quantum magnets with generic (diagonal and off-diagonal) two-spin interaction terms. Based on a careful symmetry analysis of the underlying flow equations, we reveal that the computational complexity grows only moderately, as compared to models with only diagonal interaction terms. We apply the formalism to a kagome antiferromagnet which is augmented by general in-plane and out-of-plane Dzyaloshinskii-Moriya (DM) interactions, as argued to be present in the spin liquid candidate material herbertsmithite. We calculate the complete ground state phase diagram in the strength of in-plane and out-of-plane DM couplings, and discuss the extended stability of the spin liquid of the unperturbed kagome antiferromagnet in the presence of these couplings.

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arXiv2019

Classical spiral spin liquids as a possible route to quantum spin liquids

Quantum spin liquids are long-range entangled phases whose magnetic correlations are determined by strong quantum fluctuations. While an overarching principle specifying the precise microscopic coupling scenarios for which quantum spin-liquid behavior arises is unknown, it is well-established that they are preferably found in spin systems where the corresponding classical limit of spin magnitudes $S\rightarrow\infty$ exhibits a macroscopic ground state degeneracy, so-called classical spin liquids. Spiral spin liquids represent a special family of classical spin liquids where degenerate manifolds of spin spirals form closed contours or surfaces in momentum space. Here, we investigate the potential of spiral spin liquids to evoke quantum spin-liquid behavior when the spin magnitude is tuned from the classical $S\rightarrow\infty$ limit to the quantum $S=1/2$ case. To this end, we first use the Luttinger-Tisza method to formulate a general scheme which allows one to construct new spiral spin liquids based on bipartite lattices. We apply this approach to the two-dimensional square lattice and the three-dimensional hcp lattice to design classical spiral spin-liquid phases which have not been previously studied. By employing the pseudofermion functional renormalization group (PFFRG) technique we investigate the effects of quantum fluctuations when the classical spins are replaced by quantum $S=1/2$ spins. We indeed find that extended spiral spin-liquid regimes change into paramagnetic quantum phases possibly realizing quantum spin liquids. Remnants of the degenerate spiral surfaces are still discernible in the momentum-resolved susceptibility, even in the quantum $S=1/2$ case. In total, this corroborates the potential of classical spiral spin liquids to induce more complex non-magnetic quantum phases.

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arXiv2019

Signatures for spinons in the quantum spin liquid candidate Ca$_{10}$Cr$_7$O$_{28}$

We present new experimental low-temperature heat capacity and detailed dynamical spin-structure factor data for the quantum spin liquid candidate material Ca$_{10}$Cr$_7$O$_{28}$. The measured heat capacity shows an almost perfect linear temperature dependence in the range $0.1$ K $\lesssim T\lesssim0.5$ K, reminiscent of fermionic spinon degrees of freedom. The spin structure factor exhibits two energy regimes of strong signal which display rather different but solely diffuse scattering features. We theoretically describe these findings by an effective spinon hopping model which crucially relies on the existence of strong ferromagnetically coupled triangles in the system. Our spinon theory is shown to naturally reproduce the overall weight distribution of the measured spin structure factor. Particularly, we argue that various different observed characteristic properties of the spin structure factor and the heat capacity consistently indicate the existence of a spinon Fermi surface. A closer analysis of the heat capacity at the lowest accessible temperatures hints towards the presence of weak $f$-wave spinon pairing terms inducing a small partial gap along the Fermi surface (except for discrete nodal Dirac points) and suggesting an overall $\mathbb{Z}_2$ quantum spin liquid scenario for Ca$_{10}$Cr$_7$O$_{28}$.

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arXiv2019

Quantum paramagnetism and helimagnetic orders in the Heisenberg model on the body centered cubic lattice

We investigate the spin $S=1/2$ Heisenberg model on the body centered cubic lattice in the presence of ferromagnetic and antiferromagnetic nearest-neighbor $J_{1}$, second-neighbor $J_{2}$, and third-neighbor $J_{3}$ exchange interactions. The classical ground state phase diagram obtained by a Luttinger-Tisza analysis is shown to host six different (noncollinear) helimagnetic orders in addition to ferromagnetic, Néel, stripe and planar antiferromagnetic orders. Employing the pseudofermion functional renormalization group (PFFRG) method for quantum spins ($S=1/2$) we find an extended nonmagnetic region, and significant shifts to the classical phase boundaries and helimagnetic pitch vectors caused by quantum fluctuations while no new long-range dipolar magnetic orders are stabilized. The nonmagnetic phase is found to disappear for $S=1$. We calculate the magnetic ordering temperatures from PFFRG and quantum Monte Carlo methods, and make comparisons to available data

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arXiv2019

Quantum and Classical Phases of the Pyrochlore Heisenberg Model with Competing Interactions

We investigate the quantum Heisenberg model on the pyrochlore lattice for a generic spin $S$ in the presence of nearest-neighbor $J_{1}$ and second-nearest-neighbor $J_{2}$ exchange interactions. By employing the pseudofermion functional renormalization group method, we find, for $S=1/2$ and $S=1$, an extended quantum-spin-liquid phase centered around $J_{2}=0$, which is shown to be robust against the introduction of breathing anisotropy. The effects of temperature, quantum fluctuations, breathing anisotropies, and a $J_{2}$ coupling on the nature of the scattering profile, and the pinch points, in particular, are studied. For the magnetic phases of the $J_{1}$-$J_{2}$ model, quantum fluctuations are shown to renormalize phase boundaries compared to the classical model and to modify the ordering wave vectors of spiral magnetic states, while no new magnetic orders are stabilized.

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arXiv2018

Stability of the spiral spin liquid in MnSc$_2$S$_4$

We investigate the stability of the spiral spin liquid phase in MnSc$_2$S$_4$ against thermal and quantum fluctuations as well as against perturbing effects of longer-range interactions. Employing $ab~initio$ density functional theory (DFT) calculations we propose a realistic Hamiltonian for MnSc$_2$S$_4$, featuring second ($J_2$) and third $(J_3)$ neighbor Heisenberg interactions on the diamond lattice that are considerably larger than previously assumed. We argue that the combination of strong $J_2$ and $J_3$ couplings reproduces the correct magnetic Bragg peak position measured experimentally. Calculating the spin-structure factor within the pseudofermion functional-renormalization group technique we find that close to the magnetic phase transition the sizable $J_3$ couplings induce a strong spiral selection effect, in agreement with experiments. With increasing temperature the spiral selection becomes weaker such that in a window around three to five times the ordering temperature an approximate spiral spin liquid is realized in MnSc$_2$S$_4$.

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arXiv2018

Characterization of quantum spin liquids and their spinon band structures via functional renormalization

We combine the pseudofermion functional renormalization group (PFFRG) method with a self-consistent Fock-like mean-field scheme to calculate low-energy effective theories for emergent spinon excitations in spin-1/2 quantum spin liquids. Using effective spin interactions from PFFRG as an input for the Fock equation and allowing for the most general types of free spinon ansätze as classified by the projective symmetry group (PSG) method, we are able to systematically determine spinon band structures for spin-liquid candidate systems beyond mean-field theory. We apply this approach to the antiferromagnetic $J_1$-$J_2$ Heisenberg model on the square lattice and to the antiferromagnetic nearest-neighbor Heisenberg model on the kagome lattice. For the $J_1$-$J_2$ model, we find that in the regime of maximal frustration a SU(2) $π$-flux state with Dirac spinons yields the largest mean-field amplitudes. For the kagome model, we identify a gapless $\mathbb{Z}_2$ spin liquid with a small circular spinon Fermi surface and approximate Dirac-cones at low but finite energies.

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arXiv2018

Quantum spin liquids in frustrated spin-1 diamond antiferromagnets

Motivated by the recent synthesis of the spin-1 A-site spinel NiRh$_{\text 2}$O$_{\text 4}$, we investigate the classical to quantum crossover of a frustrated $J_1$-$J_2$ Heisenberg model on the diamond lattice upon varying the spin length $S$. Applying a recently developed pseudospin functional renormalization group (pf-FRG) approach for arbitrary spin-$S$ magnets, we find that systems with $S \geq 3/2$ reside in the classical regime where the low-temperature physics is dominated by the formation of coplanar spirals and a thermal (order-by-disorder) transition. For smaller local moments $S$=1 or $S$=1/2 we find that the system evades a thermal ordering transition and forms a quantum spiral spin liquid where the fluctuations are restricted to characteristic momentum-space surfaces. For the tetragonal phase of NiRh$_{\text 2}$O$_{\text 4}$, a modified $J_1$-$J_2^-$-$J_2^\perp$ exchange model is found to favor a conventionally ordered Néel state (for arbitrary spin $S$) even in the presence of a strong local single-ion spin anisotropy and it requires additional sources of frustration to explain the experimentally observed absence of a thermal ordering transition.

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arXiv2017

Signatures of a gearwheel quantum spin liquid in a spin-$\frac{1}{2}$ pyrochlore molybdate Heisenberg antiferromagnet

We theoretically investigate the low-temperature phase of the recently synthesized Lu$_2$Mo$_2$O$_5$N$_2$ material, an extraordinarily rare realization of a $S=1/2$ three-dimensional pyrochlore Heisenberg antiferromagnet in which Mo$^{5+}$ are the $S=1/2$ magnetic species. Despite a Curie-Weiss temperature ($Θ_{\rm CW}$) of $-121(1)$ K, experiments have found no signature of magnetic ordering $or$ spin freezing down to $T^*\approx0.5$ K. Using density functional theory, we find that the compound is well described by a Heisenberg model with exchange parameters up to third nearest neighbors. The analysis of this model via the pseudofermion functional renormalization group method reveals paramagnetic behavior down to a temperature of at least $T=|Θ_{\rm CW}|/100$, in agreement with the experimental findings hinting at a possible three-dimensional quantum spin liquid. The spin susceptibility profile in reciprocal space shows momentum-dependent features forming a "gearwheel" pattern, characterizing what may be viewed as a molten version of a chiral noncoplanar incommensurate spiral order under the action of quantum fluctuations. Our calculated reciprocal space susceptibility maps provide benchmarks for future neutron scattering experiments on single crystals of Lu$_2$Mo$_2$O$_5$N$_2$.

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arXiv2017

Effects of two-loop contributions in the pseudofermion functional renormalization group method for quantum spin systems

We implement an extension of the pseudofermion functional renormalization group (PFFRG) method for quantum spin systems that takes into account two-loop diagrammatic contributions. An efficient numerical treatment of the additional terms is achieved within a nested graph construction which recombines different one-loop interaction channels. In order to be fully self consistent with respect to self-energy corrections we also include certain three-loop terms of Katanin type. We first apply this formalism to the antiferromagnetic $J_1$-$J_2$ Heisenberg model on the square lattice and benchmark our results against the previous one-loop plus Katanin approach. Even though the RG equations undergo significant modifications when including the two-loop terms, the magnetic phase diagram -- comprising Néel ordered and collinear ordered phases separated by a magnetically disordered regime -- remains remarkably unchanged. Only the boundary position between the disordered and the collinear phases is found to be moderately affected by two-loop terms. On the other hand, critical RG scales, which we associate with critical temperatures $T_\text{c}$, are reduced by a factor of $\sim2$ indicating that the two-loop diagrams play a significant role in enforcing the Mermin-Wagner theorem. Improved estimates for critical temperatures are also obtained for the Heisenberg ferromagnet on the 3D simple cubic lattice where errors in $T_\text{c}$ are reduced by $\sim34\%$.

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arXiv2017

Three-band Hubbard model for Na$_2$IrO$_3$: Topological insulator, zigzag antiferromagnet, and Kitaev-Heisenberg material

Na$_2$IrO$_3$ was one of the first materials proposed to feature the Kane-Mele type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the Kitaev-Heisenberg (KH) model. First experiments indeed revealed Mott insulating behavior in conjunction with antiferromagnetic long-range order. Further refined experiments established antiferromagnetic order of zigzag type which is not captured by the KH model. Since then several extensions and modifications of the KH model were proposed in order to describe the experimental findings. Here we suggest that adding charge fluctuations to the KH model represents an alternative explanation of zigzag antiferromagnetism. Moreover, a phenomenological three-band Hubbard model unifies all the pieces of the puzzle: topological insulator physics for weak and KH model for strong electron-electron interactions as well as a zigzag antiferromagnet at intermediate interaction strength.

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arXiv2017

Topological spinon bands and vison excitations in spin-orbit coupled quantum spin liquids

Spin liquids are exotic quantum states characterized by the existence of fractional and deconfined quasiparticle excitations, referred to as spinons and visons. Their fractional nature establishes topological properties such as a protected ground-state degeneracy. This work investigates spin-orbit coupled spin liquids where, additionally, topology enters via non-trivial band structures of the spinons. We revisit the $Z_2$ spin-liquid phases that have recently been identified in a projective symmetry-group analysis on the square lattice when spin-rotation symmetry is maximally lifted [Phys. Rev. B 90, 174417 (2014)]. We find that in the case of nearest neighbor couplings only, $Z_2$ spin liquids on the square lattice always exhibit trivial spinon bands. Adding second neighbor terms, the simplest projective symmetry-group solution closely resembles the Bernevig-Hughes-Zhang model for topological insulators. Assuming that the emergent gauge fields are static we investigate vison excitations, which we confirm to be deconfined in all investigated spin phases. Particularly, if the spinon bands are topological, the spinons and visons form bound states consisting of several spinon-Majorana zero modes coupling to one vison. The existence of such zero modes follows from an exact mapping between these spin phases and topological $p+ip$ superconductors with vortices. We propose experimental probes to detect such states in real materials.

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arXiv2016

Intertwined nematic orders in a frustrated ferromagnet

We investigate the quantum phases of the frustrated spin-$\frac{1}{2}$ $J_1$-$J_2$-$J_3$ Heisenberg model on the square lattice with ferromagnetic $J_1$ and antiferromagnetic $J_2$ and $J_3$ interactions. Using the pseudo-fermion functional renormalization group technique, we find an intermediate paramagnetic phase located between classically ordered ferromagnetic, stripy antiferromagnetic, and incommensurate spiral phases. We observe that quantum fluctuations lead to significant shifts of the spiral pitch angles compared to the classical limit. By computing the response of the system with respect to various spin rotation and lattice symmetry-breaking perturbations, we identify a complex interplay between different nematic spin states in the paramagnetic phase. While retaining time-reversal invariance, these phases either break spin-rotation symmetry, lattice-rotation symmetry, or a combination of both. We therefore propose the $J_1$-$J_2$-$J_3$ Heisenberg model on the square lattice as a paradigmatic example where different intimately connected types of nematic orders emerge in the same model.

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arXiv2016

Functional-renormalization-group analysis of Dzyaloshinsky-Moriya and Heisenberg spin interactions on the kagome lattice

We investigate the effects of Dzyaloshinsky-Moriya (DM) interactions on the frustrated $J_1$-$J_2$ kagome-Heisenberg model using the pseudo-fermion functional-renormalization-group (PFFRG) technique. In order to treat the off-diagonal nature of DM interactions, we develop an extended PFFRG scheme. We benchmark this approach in parameter regimes that have previously been studied with other methods and find good agreement of the magnetic phase diagram. Particularly, finite DM interactions are found to stabilize all types of non-collinear magnetic orders of the $J_1$-$J_2$ Heisenberg model ($\mathbf{q}=0$, $\sqrt{3}\times\sqrt{3}$, and cuboc orders) and shrink the extents of magnetically disordered phases. We discuss our results in the light of the mineral {\it herbertsmithite} which has been experimentally predicted to host a quantum spin liquid at low temperatures. Our PFFRG data indicates that this material lies in close proximity to a quantum critical point. In parts of the experimentally relevant parameter regime for {\it herbertsmithite}, the spin-correlation profile is found to be in good qualitative agreement with recent inelastic-neutron-scattering data.

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arXiv2016

Functional renormalization group for three-dimensional quantum magnetism

We formulate a pseudofermion functional renormalization group (PFFRG) scheme to address frustrated quantum magnetism in three dimensions. In a scenario where many numerical approaches fail due to sign problem or small system size, three-dimensional (3D) PFFRG allows for a quantitative investigation of the quantum spin problem and its observables. We illustrate 3D PFFRG for the simple cubic $J_1$-$J_2$-$J_3$ quantum Heisenberg antiferromagnet, and benchmark it against other approaches, if available.

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arXiv2016

Physical realization of a quantum spin liquid based on a novel frustration mechanism

Unlike conventional magnets where the magnetic moments are partially or completely static in the ground state, in a quantum spin liquid they remain in collective motion down to the lowest temperatures. The importance of this state is that it is coherent and highly entangled without breaking local symmetries. Such phenomena is usually sought in simple lattices where antiferromagnetic interactions and/or anisotropies that favor specific alignments of the magnetic moments are "frustrated" by lattice geometries incompatible with such order e.g. triangular structures. Despite an extensive search among such compounds, experimental realizations remain very few. Here we describe the investigation of a novel, unexplored magnetic system consisting of strong ferromagnetic and weaker antiferromagnetic isotropic interactions as realized by the compound Ca$_{10}$Cr$_7$O$_{28}$. Despite its exotic structure we show both experimentally and theoretically that it displays all the features expected of a quantum spin liquid including coherent spin dynamics in the ground state and the complete absence of static magnetism.

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arXiv2016

Quantum disordered insulating phase in the frustrated cubic-lattice Hubbard model

In the quest for quantum spin liquids in three spatial dimensions (3D), we study the half-filled Hubbard model on the simple cubic lattice with hopping processes up to third neighbors. Employing the variational cluster approach (VCA), we determine the zero-temperature phase diagram: In addition to a paramagnetic metal at small interaction strength $U$ and various antiferromagnetic insulators at large $U$, we find an intermediate-$U$ antiferromagnetic metal. Most interestingly, we also identify a non-magnetic insulating region, extending from intermediate to strong $U$. Using VCA results in the large-$U$ limit, we establish the phase diagram of the corresponding $J_1$-$J_2$-$J_3$ Heisenberg model. This is qualitatively confirmed - including the non-magnetic region - using spin-wave theory. Further analysis reveals a striking similarity to the behavior of the $J_1$-$J_2$ square-lattice Heisenberg model, suggesting that the non-magnetic region hosts a 3D spin-liquid phase.

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arXiv2015

Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu$_{3}$(OH)$_{6}$Cl$_{2}$

Frustrated magnetism on the kagome lattice has been a fertile ground for rich and fascinating physics, ranging from experimental evidence of a spin liquid to theoretical predictions of exotic superconductivity. Among experimentally realized spin-$\frac{1}{2}$ kagome magnets, herbertsmithite, kapellasite, and haydeeite [(Zn,Mg)Cu$_{3}$(OH)$_{6}$Cl$_{2}$] are all well described by a three-parameter Heisenberg model, but they exhibit distinctly different physics. We address the problem using a pseudofermion functional renormalization-group approach and analyze the low-energy physics in the experimentally accessible parameter range. Our analysis places kapellasite and haydeeite near the boundaries between magnetically ordered and disordered phases, implying that slight modifications could dramatically affect their magnetic properties. Inspired by this, we perform \textit{ab initio} density functional theory calculations of (Zn,Mg,Cd)Cu$_{3}$ (OH)$_{6}$Cl$_{2}$ at various pressures. Our results suggest that by varying pressure and composition one can traverse a paramagnetic regime between different magnetically ordered phases.

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