arXiv subjects

J. Schulenburg

Publications and source records attributed to J. Schulenburg.

At least 19 recordsLinked to original sources

arXiv2021

Anomalous thermodynamics of a quantum spin system with large residual entropy

In contrast to strongly frustrated classical systems, their quantum counterparts typically have a non-degenerate ground state. A counterexample is the celebrated Heisenberg sawtooth spin chain with ferromagnetic zigzag bonds $J_1$ and competing antiferromagnetic basal bonds $J_2$. At a quantum phase transition point $|J_2/J_1|=1/2$, this model exhibits a flat one-magnon excitation band leading to a massively degenerate ground-state manifold which results in a large residual entropy. Thus, for the spin-half model, the residual entropy amounts to exactly one half of its maximum value $\lim_{T\to\infty} S(T)/N = \ln2$. In the present paper we study in detail the role of the spin quantum number $s$ and the magnetic field $H$ in the parameter region around the transition (flat-band) point. For that we use full exact diagonalization up to $N=20$ lattice sites and the finite-temperature Lanczos method up to $N=36$ sites to calculate the density of states as well as the temperature dependence of the specific heat, the entropy and the susceptibility. The study of chain lengths up to $N=36$ allows a careful finite-size analysis. At the flat-band point we find extremely small finite-size effects for spin $s=1/2$, i.e., the numerical data virtually correspond to the thermodynamic limit. In all other cases the finite-size effects are still small and become visible at very low temperatures. In a sizeable parameter region around the flat-band point the former massively degenerate ground-state manifold acts as a large manifold of low-lying excitations leading to extraordinary thermodynamic properties at the transition point as well as in its vicinity such as an additional low-temperature maximum in the specific heat. Moreover, there is a very strong influence of the magnetic field on the low-temperature thermodynamics including an enhanced magnetocaloric effect.

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arXiv2020

Magnon crystallization in the kagome lattice antiferromagnet

We present numerical evidence for the crystallization of magnons below the saturation field at non-zero temperatures for the highly frustrated spin-half kagome Heisenberg antiferromagnet. This phenomenon can be traced back to the existence of independent localized magnons or equivalently flat-band multi-magnon states. We present a loop-gas description of these localized magnons and a phase diagram of this transition, thus providing information for which magnetic fields and temperatures magnon crystallization can be observed experimentally. The emergence of a finite-temperature continuous transition to a magnon-crystal is expected to be generic for spin models in dimension $D>1$ where flat-band multi-magnon ground states break translational symmetry.

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arXiv2018

The Interplay Between Lattice Topology, Frustration, and Spin Quantum Number in Quantum Antiferromagnets on Archimedean Lattices

The interplay between lattice topology, frustration, and spin quantum number, $s$, is explored for the Heisenberg antiferromagnet (HAFM) on the eleven two-dimensional Archimedean lattices (square, honeycomb, CaVO, SHD, SrCuBO, triangle, bounce, trellis, maple-leaf, star, and kagome). We show the CCM provides consistently accurate results when compared to the results of other approximate methods. The $\sqrt{3}\times\sqrt{3}$ model state provides lower ground-state energies than those of the $q=0$ model state for the kagome and star lattices for most values of $s$. The $q=0$ model state provides lower ground-state energies only for $s=1/2$ for the kagome lattice and $s=1/2$ and $s=1$ for the star lattice. The kagome and star lattices demonstrate the least amount of magnetic ordering and the unfrustrated lattices (square, honeycomb, SHD, and CaVO) demonstrate the most magnetic ordering for all values of $s$. The SrCuBO and triangular lattices also demonstrate high levels of magnetic ordering, while the remaining lattices (bounce, maple-leaf, and trellis) tend to lie between these extremes, again for all values of $s$. These results also clearly reflect the strong increase in magnetic order with increasing spin quantum number $s$ for all lattices. The ground-state energy, $E_g/(NJs^2)$, scales with $s^{-1}$ to first order, as expected from spin-wave theory, although the order parameter, $M/s$, scales with $s^{-1}$ for most of the lattices only. Self-consistent spin-wave theory calculations indicated previously that $M/s$ scales with $s^{-2/3}$ for the kagome lattice HAFM, whereas previous CCM results (replicated here also) suggested that $M/s$ scales with $s^{-1/2}$. By using similar arguments, we find here also that $M/s$ scales with $s^{-1/3}$ on the star lattice and with $s^{-2/3}$ on the SrCuBO lattice.

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arXiv2018

Magnetism of the N=42 kagome lattice antiferromagnet

For the paradigmatic frustrated spin-half Heisenberg antiferromagnet on the kagome lattice we performed large-scale numerical investigation of thermodynamic functions by means of the finite-temperature Lanczos method for system sizes of up to N=42. We present the dependence of magnetization as well as specific heat on temperature and external field and show in particular that a finite-size scaling of specific heat supports the appearance of a low-temperature shoulder below the major maximum. This seems to be the result of a counterintuitive motion of the density of singlet states towards higher energies. Other interesting features that we discuss are the asymmetric melting of the 1/3 magnetization plateau as well the field dependence of the specific heat that exhibits characteristic features caused by the existence of a flat one-magnon band. By comparison with the unfrustrated square-lattice antiferromagnet the tremendous role of frustration in a wide temperature range is illustrated.

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arXiv2016

Quantum magnetism in two dimensions: From semi-classical Néel order to magnetic disorder

This is a review of ground-state features of the s=1/2 Heisenberg antiferromagnet on two-dimensional lattices. A central issue is the interplay of lattice topology (e.g. coordination number, non-equivalent nearest-neighbor bonds, geometric frustration) and quantum fluctuations and their impact on possible long-range order. This article presents a unified summary of all 11 two-dimensional uniform Archimedean lattices which include e.g. the square, triangular and kagome lattice. We find that the ground state of the spin-1/2 Heisenberg antiferromagnet is likely to be semi-classically ordered in most cases. However, the interplay of geometric frustration and quantum fluctuations gives rise to a quantum paramagnetic ground state without semi-classical long-range order on two lattices which are precisely those among the 11 uniform Archimedean lattices with a highly degenerate ground state in the classical limit. The first one is the famous kagome lattice where many low-lying singlet excitations are known to arise in the spin gap. The second lattice is called star lattice and has a clear gap to all excitations. Modification of certain bonds leads to quantum phase transitions which are also discussed briefly. Furthermore, we discuss the magnetization process of the Heisenberg antiferromagnet on the 11 Archimedean lattices, focusing on anomalies like plateaus and a magnetization jump just below the saturation field. As an illustration we discuss the two-dimensional Shastry-Sutherland model which is used to describe SrCu2(BO3)2.

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arXiv2012

Ground-state phase diagram of the spin-1/2 square-lattice J1-J2 model with plaquette structure

Using the coupled cluster method for high orders of approximation and Lanczos exact diagonalization we study the ground-state phase diagram of a quantum spin-1/2 J1-J2 model on the square lattice with plaquette structure. We consider antiferromagnetic (J1>0) as well as ferromagnetic (J1<0) nearest-neighbor interactions together with frustrating antiferromagnetic next-nearest-neighbor interaction J2>0. The strength of inter-plaquette interaction lambda varies between lambda=1 (that corresponds to the uniform J1-J2 model) and lambda=0 (that corresponds to isolated frustrated 4-spin plaquettes). While on the classical level (s \to \infty) both versions of models (i.e., with ferro- and antiferromagnetic J1) exhibit the same ground-state behavior, the ground-state phase diagram differs basically for the quantum case s=1/2. For the antiferromagnetic case (J1 > 0) Neel antiferromagnetic long-range order at small J2/J1 and lambda \gtrsim 0.47 as well as collinear striped antiferromagnetic long-range order at large J2/J1 and lambda \gtrsim 0.30 appear which correspond to their classical counterparts. Both semi-classical magnetic phases are separated by a nonmagnetic quantum paramagnetic phase. The parameter region, where this nonmagnetic phase exists, increases with decreasing of lambda. For the ferromagnetic case (J1 < 0) we have the trivial ferromagnetic ground state at small J2/|J1|. By increasing of J2 this classical phase gives way for a semi-classical plaquette phase, where the plaquette block spins of length s=2 are antiferromagnetically long-range ordered. Further increasing of J2 then yields collinear striped antiferromagnetic long-range order for lambda \gtrsim 0.38, but a nonmagnetic quantum paramagnetic phase lambda \lesssim 0.38.

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arXiv2010

The frustrated spin-1/2 J1-J2 Heisenberg ferromagnet on the square lattice: Exact diagonalization and Coupled-Cluster study

We investigate the ground-state magnetic order of the spin-1/2 J1-J2 Heisenberg model on the square lattice with ferromagnetic nearest-neighbor exchange J1<0 and frustrating antiferromagnetic next-nearest neighbor exchange J2>0. We use the coupled-cluster method to high orders of approximation and Lanczos exact diagonalization of finite lattices of up to N=40 sites in order to calculate the ground-state energy, the spin-spin correlation functions, and the magnetic order parameter. We find that the transition point at which the ferromagnetic ground state disappears is given by J2^{c1}=0.393|J1| (exact diagonalization) and J2^{c1}=0.394|J1| (coupled-cluster method). We compare our results for ferromagnetic J1 with established results for the spin-1/2 J1-J2 Heisenberg model with antiferromagnetic J1. We find that both models (i.e., ferro- and antiferromagnetic J1) behave similarly for large J2, although significant differences between them are observed for J2/|J1| \lesssim 0.6. Although the semiclassical collinear magnetic long-range order breaks down at J2^{c2} \approx 0.6J1 for antiferromagnetic J1, we do not find a similar breakdown of this kind of long-range order until J2 \sim 0.4|J1| for the model with ferromagnetic J1. Unlike the case for antiferromagnetic J1, if an intermediate disordered phase does occur between the phases exhibiting semiclassical collinear stripe order and ferromagnetic order for ferromagnetic J1 then it is likely to be over a very small range below J2 \sim 0.4|J1|.

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arXiv2009

The spin-1/2 J1-J2 Heisenberg antiferromagnet on the square lattice: Exact diagonalization for N=40 spins

We present numerical exact results for the ground state and the low-lying excitations for the spin-1/2 J1-J2 Heisenberg antiferromagnet on finite square lattices of up to N=40 sites. Using finite-size extrapolation we determine the ground-state energy, the magnetic order parameters, the spin gap, the uniform susceptibility, as well as the spin-wave velocity and the spin stiffness as functions of the frustration parameter J2/J1. In agreement with the generally excepted scenario we find semiclassical magnetically ordered phases for J2 < J2^{c1} and J2 > J2^{c2} separated by a gapful quantum paramagnetic phase. We estimate J2^{c1} \approx 0.35J1 and J2^{c2} \approx 0.66J1.

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arXiv2009

High-Order Coupled Cluster Method Study of Frustrated and Unfrustrated Quantum Magnets in External Magnetic Fields

We apply the coupled cluster method (CCM) in order to study the ground-state properties of the (unfrustrated) square-lattice and (frustrated) triangular-lattice spin-half Heisenberg antiferromagnets in the presence of external magnetic fields. Here we determine and solve the basic CCM equations by using the localised approximation scheme commonly referred to as the `LSUB$m$' approximation scheme and we carry out high-order calculations by using intensive computational methods. We calculate the ground-state energy, the uniform susceptibility, the total (lattice) magnetisation and the local (sublattice) magnetisations as a function of the magnetic field strength. Our results for the lattice magnetisation of the square-lattice case compare well to those results of QMC for all values of the applied external magnetic field. We find a value for magnetic susceptibility of $χ=0.070$ for the square-lattice antiferromagnet, which is also in agreement with the results of other approximate methods (e.g., $χ=0.0669$ via QMC). Our estimate for the range of the extent of the ($M/M_s=$)$\frac 13$ magnetisation plateau for the triangular-lattice antiferromagnet is $1.37< λ< 2.15$, which is in good agreement with results of spin-wave theory ($1.248 < λ< 2.145$) and exact diagonalisations ($1.38 < λ< 2.16$). The CCM value for the in-plane magnetic susceptibility per site is $χ=0.065$, which is below the result of the spin-wave theory (evaluated to order 1/S) of $χ_{SWT}=0.0794$.

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arXiv2009

The DSUB$m$ Approximation Scheme for the Coupled Cluster Method and Applications to Quantum Magnets

A new approximate scheme, DSUB$m$, is described for the coupled cluster method. We then apply it to two well-studied (spin-1/2 Heisenberg antiferromagnet) spin-lattice models, namely: the $XXZ$ and the $XY$ models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the sublattice magnetization and the quantum critical point. They are in good agreement with those from such alternative methods as spin-wave theory, series expansions, quantum Monte Carlo methods and those from the CCM using the LSUB$m$ scheme.

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arXiv2009

Diamond chains with multiple-spin exchange interactions

We study the phase diagram of a symmetric spin-1/2 Heisenberg diamond chain with additional cyclic four-spin exchange interactions. The presented analysis supplemented by numerical exact-diagonalization results for finite periodic clusters implies a rich phase diagram containing, apart from standard magnetic and spin-liquid phases, two different tetramer-dimer phases as well as an exotic four-fold degenerate dimerized phase. The characteristics of the established spin phases as well as the nature of quantum phase transitions are discussed, as well.

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arXiv2008

Ground-state phases of the spin-1/2 J_1-J_2 Heisenberg antiferromagnet on the square lattice: A high-order coupled cluster treatment

Using the coupled cluster method for high orders of approximation and complementary exact diagonalization studies we investigate the ground state properties of the spin-1/2 $J_1$--$J_2$ frustrated Heisenberg antiferromagnet on the square lattice. We have calculated the ground-state energy, the magnetic order parameter, the spin stiffness, and several generalized susceptibilities to probe magnetically disordered quantum valence-bond phases. We have found that the quantum critical points for both the Néel and collinear orders are $J_2^{c1}\approx (0.44 \pm 0.01)J_1$ and $J_2^{c2}\approx (0.59 \pm 0.01)J_1$ respectively, which are in good agreement with the results obtained by other approximations. In contrast to the recent study by [Sirker et al. Phys. Rev. B {\bf 73}, 184420 (2006)], our data do not provide evidence for the transition from the Néel to the valence-bond solid state to be first order. Moreover, our results are in favor of the deconfinement scenario for that phase transition. We also discuss the nature of the magnetically disordered quantum phase.

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arXiv2008

The ground-state magnetic ordering of the spin-1/2 frustrated J1-J2 XXZ model on the square lattice

Using the coupled-cluster method for infinite lattices and the exact diagonalization method for finite lattices, we study the influence of an exchange anisotropy Delta on the ground-state phase diagram of the spin-1/2 frustrated J1-J2 XXZ antiferromagnet on the square lattice. We find that increasing Delta>1 (i.e. an Ising type easy-axis anisotropy) as well as decreasing Delta<1 (i.e. an XY type easy-plane anisotropy) both lead to a monotonic shrinking of the parameter region of the magnetically disordered quantum phase. Finally, at Delta~1.9 this quantum phase disappears, whereas in pure XY limit (Delta=0) there is still a narrow region around J2 =0.5J1 where the quantum paramagnetic ground-state phase exists.

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arXiv2008

Effect of anisotropy on the ground-state magnetic ordering of the spin-half quantum $J_1^{XXZ}$--$J_2^{XXZ}$ model on the square lattice

We study the zero-temperature phase diagram of the 2D quantum $J_{1}^{XXZ}$--$J_{2}^{XXZ}$ spin-1/2 anisotropic Heisenberg model on the square lattice. In particular, the effects of the anisotropy $Δ$ on the $z$-aligned Néel and (collinear) stripe states, as well as on the $xy$-planar-aligned Néel and collinear stripe states, are examined. All four of these quasiclassical states are chosen in turn as model states on top of which we systematically include the quantum correlations using a coupled cluster method analysis carried out to very high orders. We find strong evidence for two {\it quantum triple points} (QTP's) at ($Δ^{c} = -0.10 \pm 0.15, J_{2}^{c}/J_{1} = 0.505 \pm 0.015$) and ($Δ^{c} = 2.05 \pm 0.15, J_{2}^{c}/J_{1} = 0.530 \pm 0.015$), between which an intermediate magnetically-disordered phase emerges to separate the quasiclassical Néel and stripe collinear phases. Above the upper QTP ($Δ\gtrsim 2.0$) we find a direct first-order phase transition between the Néel and stripe phases, exactly as for the classical case. The $z$-aligned and $xy$-planar-aligned phases meet precisely at $Δ= 1$, also as for the classical case. For all values of the anisotropy parameter between those of the two QTP's there exists a narrow range of values of $J_{2}/J_{1}$, $α^{c_1}(Δ)<J_{2}/J_{1} <α^{c_2}(Δ)$, centered near the point of maximum classical frustration, $J_{2}/J_{1} = {1/2}$, for which the intermediate phase exists. This range is widest precisely at the isotropic point, $Δ= 1$, where $α^{c_1}(1) = 0.44 \pm 0.01$ and $α^{c_2}(1) = 0.59 \pm 0.01$. The two QTP's are characterized by values $Δ= Δ^{c}$ at which $α^{c_1}(Δ^{c})=α^{c_2}(Δ^{c})$.

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arXiv2006

Quantum $J_1$--$J_2$ antiferromagnet on the stacked square lattice: Influence of the interlayer coupling on the ground-state magnetic ordering

Using the coupled-cluster method (CCM) and the rotation-invariant Green's function method (RGM), we study the influence of the interlayer coupling $J_\perp$ on the magnetic ordering in the ground state of the spin-1/2 $J_1$-$J_2$ frustrated Heisenberg antiferromagnet ($J_1$-$J_2$ model) on the stacked square lattice. In agreement with known results for the $J_1$-$J_2$ model on the strictly two-dimensional square lattice ($J_\perp=0$) we find that the phases with magnetic long-range order at small $J_2< J_{c_1}$ and large $J_2> J_{c_2}$ are separated by a magnetically disordered (quantum paramagnetic) ground-state phase. Increasing the interlayer coupling $J_\perp>0$ the parameter region of this phase decreases, and, finally, the quantum paramagnetic phase disappears for quite small $J_\perp \sim 0.2 ... 0.3 J_1$.

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arXiv2006

Exact eigenstates of highly frustrated spin lattices probed in high fields

Strongly frustrated antiferromagnets such as the magnetic molecule {Mo72Fe30}, the kagome, or the pyrochlore lattice exhibit a variety of fascinating properties like low-lying singlets, magnetization plateaus as well as magnetization jumps. During recent years exact many-body eigenstates could be constructed for several of these spin systems. These states become ground states in high magnetic fields, and they also lead to exotic behavior. A key concept to an understanding of these properties is provided by independent localized magnons. The energy eigenvalue of these n-magnon states scales linearly with the number n of independent magnons and thus with the total magnetic quantum number M=Ns-n. In an applied field this results in a giant magnetization jump which constitutes a new macroscopic quantum effect. It will be demonstrated that this behavior is accompanied by a massive degeneracy, an extensive (T=0)-entropy, and thus a large magnetocaloric effect at the saturation field. The connection to flat band ferromagnetism will be outlined.

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arXiv2005

High-Order Coupled Cluster Calculations Via Parallel Processing: An Illustration For CaV$_4$O$_9$

The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of arbitrary spatial dimensionality. Here we present a significant extension of the method by introducing a new approach that allows an efficient parallelization of computer codes that carry out ``high-order'' CCM calculations. We find that we are able to extend such CCM calculations by an order of magnitude higher than ever before utilized in a high-order CCM calculation for an antiferromagnet. Furthermore, we use only a relatively modest number of processors, namely, eight. Such very high-order CCM calculations are possible {\it only} by using such a parallelized approach. An illustration of the new approach is presented for the ground-state properties of a highly frustrated two-dimensional magnetic material, CaV$_4$O$_9$. Our best results for the ground-state energy and sublattice magnetization for the pure nearest-neighbor model are given by $E_g/N=-0.5534$ and $M=0.19$, respectively, and we predict that there is no Néel ordering in the region $0.2 \le J_2/J_1 \le 0.7$. These results are shown to be in excellent agreement with the best results of other approximate methods.

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arXiv2005

Quantum kagome antiferromagnet in a magnetic field: Low-lying non-magnetic excitations versus valence-bond crystal order

We study the ground state properties of a quantum antiferromagnet on the kagome lattice in the presence of a magnetic field, paying particular attention to the stability of the plateau at magnetization 1/3 of saturation and the nature of its ground state. We discuss fluctuations around classical ground states and argue that quantum and classical calculations at the harmonic level do not lead to the same result in contrast to the zero-field case. For spin S=1/2 we find a magnetic gap below which an exponential number of non-magnetic excitations are present. Moreover, such non-magnetic excitations also have a (much smaller) gap above the three-fold degenerate ground state. We provide evidence that the ground state has long-range order of valence-bond crystal type with nine spins in the unit cell.

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