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arXiv:1603.07665 · Physical review. B./Physical review. B

Quasiparticle interactions in frustrated Heisenberg chains

Laurens Vanderstraeten, Jutho Haegeman, Frank Verstraete, Didier Poilblanc

Published Jun 6, 2016• 10 citations
arXivHTMLPDF

Abstract

Interactions between elementary excitations in quasi-one-dimensional antiferromagnets are of experimental relevance and their quantitative theoretical treatment has been a theoretical challenge for many years. Using matrix product states, one can explicitly determine the wave functions of the one- and two-particle excitations, and, consequently, the contributions to dynamical correlations. We apply this framework to the (nonintegrable) frustrated dimerized spin-1/2 chain, a model for generic spin-Peierls systems, where low-energy quasiparticle excitations are bound states of topological solitons. The spin structure factor involving two quasiparticle scattering states is obtained in the thermodynamic limit with full momentum and frequency resolution. This allows very subtle features in the two-particle spectral function to be revealed which, we argue, could be seen, e.g., in inelastic neutron scattering of spin-Peierls compounds under a change of the external pressure.

DOI
10.1103/physrevb.93.235108

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Interactions between elementary excitations in quasi-one-dimensional antiferromagnets are of experimental relevance and their quantitative theoretical treatment has been a theoretical challenge for many years. Using matrix product states, one can explicitly determine the wave functions of the one- and two-particle excitations, and, consequently, the contributions to dynamical correlations. We apply this framework to the (nonintegrable) frustrated dimerized spin-1/2 chain, a model for generic spin-Peierls systems, where low-energy quasiparticle excitations are bound states of topological solitons. The spin structure factor involving two quasiparticle scattering states is obtained in the thermodynamic limit with full momentum and frequency resolution. This allows very subtle features in the two-particle spectral function to be revealed which, we argue, could be seen, e.g., in inelastic neutron scattering of spin-Peierls compounds under a change of the external pressure.
In this work a perturbative realization of particle conserving continuous unitary transformations is applied to study the energies and the spectral properties of quasi one-dimensional quantum antiferromagnets. The systems considered are defined on a lattice and they allow for a perturbative decomposition. The unperturbed part is chosen to be a fully dimerized state. The groundstate is a product-state of singlets and the excitation spectrum is equidistant. The related energy quantum is called a triplon becaues it has total spin one. The continous unitary transformation leads to an effective triplon-conserving Hamiltonian and effective, experimentally relevant observables. The effective operators are obtained in a high-order series expansion in the perturbation parameters. All calculations are performed on finite clusters in real space and yield exact results in the thermodynamic limit due to the linked cluster theorem. The results are exact in the given order. In order to improve the representation of the results extrapolation techniques are used. A detailed description of extrapolation tools like standard Pade and dlogPade extrapolation, optimized perturbation theory and the use of internal parameters is given. The dimerized and frustrated spin-chain is analysed first. At zero frustration, a detailed investigation of the spectral weights shows that even in the limit of vanishing dimerization, the one-dimensional Heisenberg model, almost the total spectral weight is situated in the two-triplon sector. So, besides spinons, triplons may be used as elementary excitations for the one-dimensional Heisenberg model. The case of strong frustration is not yet settled. An extensive review of one- and two-triplon spectral densities at large and intermediate value of the dimerization for various values of the frustration is presented. The findings are compared with field theoretical results. In addition, the Raman response and the infrared absorption are investigated. Second, the antiferromagnetic two-leg Heisenberg ladder plus additional four-spin interaction is investigated. The transformation starts from the limit of isolated rung dimers. The excitations are rung-triplons. The relative energies of one-triplon states, the two-triplon bound states and the multi-triplon continua are given for various couplings. Optical observables are discussed in detail. The extent of the rung-singlet phase is calculated in the whole parameter space. It is shown that the experimental realizations of two-leg ladder systems are always situated in the rung-singlet phase. In the experimentally relevant regime, most of the spectral weight is captured by the one- and the two-triplon sector, but also three- and four-triplon contributions become sizable. The current understanding of the spectroscopic signatures of magnetic excitations in cuprate ladders measured with inelastic neutron scattering, Raman spectroscopy and infrared absorption is presented. The results obtained are compared with experimental findings. The first experimental evidence of a triplon-triplon bound state in a ladder system is found.
We have studied the low-energy excitation spectrum of a dimerized and frustrated antiferromagnetic Heisenberg chain. We use an analytic approach, based on a description of the excitations as triplets above a strong-coupling singlet ground state. The quasiparticle spectrum is calculated by treating the excitations as a dilute Bose gas with infinite on-site repulsion. Additional singlet (S=0)(S=0)(S=0) and triplet (S=1)(S=1)(S=1) modes are found as two-particle bound states of the elementary triplets. We have also calculated the contributions of the elementary and collective excitations into the spin structure factor. Our results are in excellent agreement with exact diagonalizations and dimer series expansions data as long as the dimerization parameter \ensuremath{\delta} is not too small $(\ensuremath{\delta}>0.1),$ i.e., while the elementary triplets can be treated as localized objects.
The research presented here focuses on the theoretical investigation of spinons in quasi one-dimensional quantum spin chains from the perspective of neutron scattering, with emphasis placed on the calculation of dynamic spin structure factors for both unpolarised and polarised incident neutrons. Two anisotropic versions of the Heisenberg spin chain are considered for such an examination: the spin-1/21/21/2 antiferromagnetic XXZXXZXXZ model and the spin-1/21/21/2 ferromagnetic XYZXYZXYZ model.The XYZXYZXYZ model supports spinon scattering (modelled at finite temperature) and is related to the so-called Villain mode. The introduction of a perturbation in the form of an external transverse magnetic field or Dzyaloshinskii-Moriya interaction (DMI) leads to the emergence of incommensurability in the system; such a result is a signature of fractional excitations. The presence of these interactions also give rise to a chiral response associated with the spinons in the polarised term of the scattering cross section. The inelastic scattering cross section is computed for both unpolarised and polarised neutrons.In relation to the antiferromagnetic XXZXXZXXZ model, emphasis is on spinon pair creation (modelled at T=0rmKT = 0 {rm K}T=0rmK). Motivated by the presence of a chiral response in the case of the XYZXYZXYZ model mentioned above, a new technique is developed in order to incorporate DMI and the transverse magnetic field so that one can determine if there is a chiral property associated with the two-spinon system. This technique is numerical in nature and is based on Green function methods. Using the results produced by the Green function approach, the inelastic cross section in the presence of an external transverse magnetic field is computed for the first time. The result is compared with experimental neutron scattering data; good agreement is demonstrated between theory and experiments on rmCsCoBr3{rm CsCoBr}_3rmCsCoBr3​.Finally, the Green function approach is generalised to account for the interactions between spin chains in magnetic compounds described by a staggered field. Various dynamic structure factors are computed for this scenario with results compared to experiment; good agreement between the theory and experiments on rmRbCoCl3{rm RbCoCl}_3rmRbCoCl3​ is shown.
Many phenomena in magnetism can be described using classical models, yet magnetism is a quantum mechanical effect. In addition to thermal fluctuations, quantum fluctuations arise due to the quantum uncertainty of the ground state. These fluctuations are enhanced by low dimensionality and low spin. Spin chains show interesting excitations associated with quasiparticles. Model materials for spin chains can be realized in compounds where the interchain interactions are weak enough. This thesis presents neutron scattering studies of two model materials for spin chains with different spin symmetry. The spin2 Heisenberg antiferromagnetic chain CuSO4*5D2O has a main exchange of J ∼ 3 K, which permits to study its excitation spectrum up to temperatures of ten times the exchange. The spin2 Heisenberg magnet has been studied widely both theoretically and experimentally. The excitation spectrum of the spin2 Heisenberg antiferromagnet consists of quasiparticles called spinons, and calculations for it exist for T = 0 and as a function of temperature. A quantitative comparison between experimental data and theoretical models across a range of temperatures is presented. The excitation spectrum of CuSO4*5D2O is excellently described by the excitation spectrum of a spin2 Heisenberg antiferromagnetic chain at finite temperatures. Energy-temperature scaling is observed at temperatures up to 2J . For these temperatures the Luttinger liquid description of the spin2 Heisenberg antiferromagnetic chain is valid. A spinon continuum is confirmed at all measured temperatures. Therefore, even at ten times the main exchange (T ≈ 10 J), CuSO4*5D2O shows the behavior of a quantum magnet, and not of a classical system at infinite temperatures, for which one would expect single spin flips. The Ising chain is one of the most studied models in magnetism, one model compound for it is RbCoCl3. Optical spectroscopy measurements suggest a lower gap than for similar compounds, which makes it better suited for high resolution neutron spectroscopy. Magnetic correlations along the chains arise in RbCoCl3 below 80 K. A gapped continuum is observed, which arises from isolated antiferromagnetic Ising chains. Below the first magnetic ordering temperature TN1 ≈ 28 K bound states are observed, which arise due to correlations which form between the chains. Strong diffuse scattering leads to the conclusion that disorder is still present. At the second magnetic ordering transition, at TN2 ≈ 14 K, the bound states split as the correlations between the chains change. Fits indicate that the correlations change continuously as a function of temperature. Above TN2 the excitation spectrum of RbCoCl3 can be described by a spin1 2 Ising chain with an XY-component which is treated as a perturbation. Below TN2 the main features are reproduced correctly, but deviations from the details indicate that additional terms in the Hamiltonian may be necessary. This thesis was carried out at the Institut Laue-Langevin, the Laboratory for Neutron Scattering and Imaging at the Paul Scherrer Institute and ETH Zurich.
We use the matrix product state formalism to construct stationary scattering states of elementary excitations in generic one-dimensional quantum lattice systems. Our method is applied to the spin-1 Heisenberg antiferromagnet, for which we calculate the full magnon-magnon S matrix for arbitrary momenta and spin, the two-particle contribution to the spectral function, and higher order corrections to the magnetization curve. As our method provides an accurate microscopic representation of the interaction between elementary excitations, we envisage the description of low-energy dynamics of one-dimensional spin chains in terms of these particlelike excitations.