Spectral densities are calculated for the dimerized and frustrated $S=1/2$ chain using the method of continuous unitary transformations. The transformation to an effective triplon model is realized in a perturbative fashion up to high orders about the limit of isolated dimers. An efficient description in terms of triplons (elementary triplets) is possible: a detailed analysis of the spectral densities is provided for strong and intermediate dimerization including the influence of frustration. Precise predictions are made for inelastic neutron scattering experiments probing the $S=1$ sector and for optical experiments (Raman scattering, infrared absorption) probing the $S=0$ sector. Bound states and resonances influence the important continua strongly. The comparison with the field theoretic results reveals that the sine-Gordon model describes the low-energy features for strong to intermediate dimerization only at critical frustration.
Spectral densities are calculated for the dimerized and frustrated S=1/2 chain using the method of continuous unitary transformations. The transformation to an effective triplon model is realized in a perturbative fashion up to high orders about the limit of isolated dimers. An efficient description in terms of triplons (elementary triplets) is possible: a detailed analysis of the spectral densities is provided for strong and intermediate dimerization including the influence of frustration. Precise predictions are made for inelastic neutron scattering experiments probing the S=1 sector and for optical experiments (Raman scattering, infrared absorption) probing the S=0 sector. Bound states and resonances influence the important continua strongly. The comparison with the field theoretic results reveals that the sine-Gordon model describes the low-energy features for strong to intermediate dimerization only at critical frustration.
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.
Excitation spectra of S=1/2 and 1 frustrated Heisenberg antiferromagnetic chains with bond alternation (explicit dimerization) are studied using a combination of analytical and numerical methods. The system undergoes a dimerization transition at a critical bond alternation parameter $\ensuremath{\delta}={\ensuremath{\delta}}_{\mathrm{c}}$, where ${\ensuremath{\delta}}_{\mathrm{c}}=0$ for the S=1/2 chain. The SU(2)-symmetric sine-Gordon theory is known to be an effective field theory of the system except at the transition point. The sine-Gordon theory has a SU(2)-triplet and a SU(2)-singlet of elementary excitation, and the mass ratio r of the singlet to the triplet is 3. However, our numerical calculation with the infinite time-evolving block decimation method shows that r depends on the frustration (next-nearest-neighbor coupling) and is generally different from 3. This can be understood as an effect of marginal perturbation to the sine-Gordon theory. In fact, at the critical frustration separating the second-order and first-order dimerization transitions, the marginal operator vanishes and r=3 holds. We derive the mass ratio r analytically using form-factor perturbation theory combined with a renormalization-group analysis. Our formula agrees well with the numerical results, confirming the theoretical picture. The present theory also implies that, even in the presence of a marginally irrelevant operator, the mass ratio approaches 3 in the very vicinity of the second-order dimerization critical point $\ensuremath{\delta}\ensuremath{\sim}{\ensuremath{\delta}}_{c}$. However, such a region is extremely small and would be difficult to observe numerically.
Dynamics of S=1 antiferromagnetic bond-alternating chains in the dimer phase, in the vicinity of the critical point with the Haldane phase, is studied by a field theoretical method. This model is considered to represent the compound Ni(C9H24N4)(NO2)ClO4 (abbreviated as NTENP). We derive a sine-Gordon (SG) field theory as a low-energy effective model of this system, starting from a Tomonaga-Luttinger liquid at the critical point. Using the exact solution of the SG theory, we give a field theoretical picture of the low-energy excitation spectrum of NTENP. Results derived from our picture are in a good agreement with results of inelastic neutron scattering experiments on NTENP and numerical calculation of the dynamical structure factor. Furthermore, on the basis of the obtained theoretical picture, we predict that the sharp peaks corresponding to a single elementary excitation are absent in the Raman scattering spectrum of NTENP in contrast to the inelastic neutron scattering spectrum.
The transition from dimerized to uniform phases is studied in terms of spectral weights for spin chains using continuous unitary transformations. The spectral weights in the S=1 channel are computed perturbatively around the limit of strong dimerization. We find that the spectral weight is concentrated mainly in the subspaces with a small number of elementary triplets (triplons), even for vanishing dimerization. So, besides spinons, triplons may be used as elementary excitations in spin chains. We conclude that there is no necessity to use fractional excitations in low-dimensional, undoped, or doped quantum antiferromagnets.
In this thesis we describe a novel perturbative approach to low-dimensional quantum many-particle systems, which is based on continuous unitary transformations. We consider systems, which are defined on a lattice and allow a perturbative decomposition. The unperturbed part must have an equidistant spectrum -- the difference between two successive levels is called a quasi-particle. In this case the perturbative transformation leads to an effective Hamiltonian, which conserves the number of particles. The same transformation is used to also derive the effective counterparts of other, experimentally relevant observables. The effective operators are obtained as series expansions in the (small) perturbation parameter. In each order we find a set of products of ladder-operators, which act on states uniquely defined by the number of quasi-particles and their position in the lattice. Thus all calculations can be done in real space. The mathematical structure of the effective operators is extensively analysed. We additionally give all details necessary to implement the method on a computer, which allows the calculation of the effective quantities up to high orders. The method facilitates quantitative calculations of multi-particle excitations and spectral densities of experimentally relevant observables. We include a comprehensive application of the method to the two-dimensional Shastry-Sutherland model, a strongly frustrated quantum spin system. The model has experience an experimental realization by SrCu2(BO3)2. The limit of strong dimerization serves as starting point. Here the ground state is given by singlets on all dimers -- a single triplet constitutes an elementary excitation, i.e. quasi-particle. We quantitatively calculate the one- and two-triplet energies as well as the spectral densities of the Raman and neutron scattering operators. The findings for the spectral densities in particular represent new results. Comparing them to experimental data leads to interesting insights into the spectral properties of low-dimensional quantum spin systems.
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) and triplet (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.