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Clusterentwicklungen für dimerisierte Spinsysteme

Martin Müller

Published Jan 1, 2002• 0 citations
Publisher

Abstract

The subject of the present work are dimerized spin 1/2 systems in one, two and three dimensions.The models are investigated perturbatively by means of cluster expansion.This method makes it possible to study systems even in two and three dimension up to high orders.Starting with a generic HAMILTON-Operator which includes both bilinear and biquadratic interaction terms, the groundstate energies and the low lying excitations of the alternating spin chain und the spin ladder are calculated.Well-known results from BETHE ansatz and bosonization are used to verify the series.Based on this model, two speci£c one-dimensional problems are investigated in more detail: the £rst one is the incommensurate regime of the generalized spin ladder, which was previously analyzed by other approximation techniques.This regime is characterized by a minimum of the dispersion between 0 and π.The second problem deals with a quantum phase transition in the spin ladder with additional cyclic four-spin interaction (ring exchange).The excitation gap which is always present in the regular spin ladder can be reduced by taking the ring exchange into account.Within the region which is accessible by perturbation theory a transition line is presented on which the gap vanishes.For further characterization of the phase transition critical exponents are calculated which give a connection between exchange strength and gap size.Within the range of the higher-dimensional spin dimer systems the compounds KCuCl 3 , TlCuCl 3 (3d) and (C 4 H 12 N 2 )Cu 2 Cl 6 (2d) are studied.To clarify the microscopic interactions, dispersion relations which take all reasonable (i.e.evident from the chemical structure) interactions into account are computed.In the case of KCuCl 3 and TlCuCl 3 there are nine and in the case of (C 4 H 12 N 2 )Cu 2 Cl 6 there are ten spin spin interactions considered.The strength of the exchange parameters is determined by comparison with inelastic neutron scattering data.For the above-mentioned substances the interaction constants are evaluated to match the dispersion relation with the experimental data to a high accuracy.Finally, the dynamical structure factor which is limited to the singlet-triplet transition is calculated perturbatively for the compounds KCuCl 3 and TlCuCl 3 .Since it is proportional to the differential cross section, one is able to establish a relationship to inelastic neutron scattering experiments.

DOI
10.15488/6072

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The subject of the present work are dimerized spin 1/2 systems in one, two and three dimensions.The models are investigated perturbatively by means of cluster expansion.This method makes it possible to study systems even in two and three dimension up to high orders.Starting with a generic HAMILTON-Operator which includes both bilinear and biquadratic interaction terms, the groundstate energies and the low lying excitations of the alternating spin chain und the spin ladder are calculated.Well-known results from BETHE ansatz and bosonization are used to verify the series.Based on this model, two speci£c one-dimensional problems are investigated in more detail: the £rst one is the incommensurate regime of the generalized spin ladder, which was previously analyzed by other approximation techniques.This regime is characterized by a minimum of the dispersion between 0 and π.The second problem deals with a quantum phase transition in the spin ladder with additional cyclic four-spin interaction (ring exchange).The excitation gap which is always present in the regular spin ladder can be reduced by taking the ring exchange into account.Within the region which is accessible by perturbation theory a transition line is presented on which the gap vanishes.For further characterization of the phase transition critical exponents are calculated which give a connection between exchange strength and gap size.Within the range of the higher-dimensional spin dimer systems the compounds KCuCl 3 , TlCuCl 3 (3d) and (C 4 H 12 N 2 )Cu 2 Cl 6 (2d) are studied.To clarify the microscopic interactions, dispersion relations which take all reasonable (i.e.evident from the chemical structure) interactions into account are computed.In the case of KCuCl 3 and TlCuCl 3 there are nine and in the case of (C 4 H 12 N 2 )Cu 2 Cl 6 there are ten spin spin interactions considered.The strength of the exchange parameters is determined by comparison with inelastic neutron scattering data.For the above-mentioned substances the interaction constants are evaluated to match the dispersion relation with the experimental data to a high accuracy.Finally, the dynamical structure factor which is limited to the singlet-triplet transition is calculated perturbatively for the compounds KCuCl 3 and TlCuCl 3 .Since it is proportional to the differential cross section, one is able to establish a relationship to inelastic neutron scattering experiments.
We discuss the transition strength between the disordered ground state and the basic low-lying triplet excitation for interacting dimer materials by presenting theoretical calculations and series expansions as well as inelastic neutron scattering results for the material KCuCl 3 . We describe in detail the features resulting from the presence of two differently oriented dimers per unit cell and show how energies and spectral weights of the resulting two modes are related to each other. We present results from the perturbation expansion in the interdimer interaction strength and thus demonstrate that the wavevector dependence of the simple dimer approximation is modified in higher orders. Explicit results are given in tenth order for dimers coupled in 1D, and in second order for dimers coupled in 3D with application to KCuCl 3 and TlCuCl 3 .
This thesis describes the neutron scattering measurements of magnetic excitations in \nspin-chains and ladders. The first part discusses an experimental investigation of the copper oxide family Srâ â Cuâ â Oâ â composed of edge-sharing chains and spin-ladders. \nThe study of Laâ Srâ â Cuâ â Oâ â comprises a slightly hole-doped chain and an undoped ladder structure where the chain can be modeled by a ferromagnetic nearest and an \nantiferromagnetic next-nearest neighbor coupling. The hole effects are apparent in gaps in the dispersion relation and can be described by a charge-density wave agreeing with the commensuration of the dispersion. Investigating the undoped ladder establishes \nthe exchange constants including a cyclic exchange manifested by the two-magnon \ncontinuum and the suppression of the S = 1 bound mode. An orbital consideration \nprovides an explanation for the exchanges including the different sizes of rung and \nleg coupling. The excitation spectrum of the doped ladder in Caâ .â Srâ â .â Cuâ â Oâ â can be \ndescribed by a direct comparison with the undoped ladder and the differences consisting \nof a higher energy mode and subgap scattering can be successfully modeled by the charge spectrum of the ladder calculated from the free electron model. The second part of the thesis investigates the alternating chain material Cu(NOâ )â · 2.5D2O and establishes the gapped one-magnon dispersion, the two-magnon continuum and for the first time the S =1 bound mode. Applying magnetic field drives the system through two critical field transitions, condensation of magnons into the ground state and saturation. The modes beyond saturation can be modeled by spin wave theory and the excitations at the first critical field follow Luttinger Liquid behavior. Additionally investigated are the temperature effects with the excitations being of a different nature but containing the signature of a strong correlated system. For an outlook the measurements including temperature and field are provided with further theoretical descriptions necessary.
We investigate the elementary excitations of quasi-one-dimensional S = ½ systems built up from zigzag chains with general isotropic exchange constants, using exact (Lanczos) diagonalization for 24 spins and series expansions starting from the decoupled dimer limit. For the ideal one-dimensional zigzag chain we discuss the systematic variation of the basic (magnon) triplet excitation with general exchange parameters and in particular the presence of practically flat dispersions in certain regions of phase space. We extend the dimer expansion in order to include the effects of three-dimensional interactions on the spectra of weakly interacting zigzag chains. In an application to KCuCl 3 we show that this approach allows us to determine the exchange interactions between individual pairs of spins from the spectra as determined in recent neutron scattering experiments.
The exchange-scattering spectra are reproduced by the numerical calculation for the finite Heisenberg ladder, in which two-legs with antiferromagnetic bond J c is connected by rungs with antiferromagnetic bond J r . The numerical calculation is made for the system of 12 ×2 sites by Lanczos method. The ratio of J c / J r is considered to be 0.6–1.0 in order to discuss the experimental work for ladders of Cu 2+ ions in oxide compounds Sr 14- x Ca x Cu 24 O 41 . In addition to the Raman edge about J r corresponding twice the singlet-triplet spin gap, the characteristic structure appears around 2 or 3 times of J r i.e. 3 or 5 times the spin-gap. We concentrate our attention on characteristic features of excited levels, transitions to which are Raman-active. In particular, the relationship between correlations for spins in those states and corresponding Raman intensities is discussed in the picture of triplet pairs excited from singlet dimers. By the perturbation theory, the essential dependence of those intensities on distances between triplet dimers is investigated.
This PhD thesis concerns the physics of low-dimensional quantum systems and especially quantum spin ladders. Novel metal-organic compounds (C5H12N)2CuBr4 and (C5H12N)2CuCl4 are investigated as model materials for low-dimensional quantum behavior by neutron scattering experiments and by measurements of magnetic and thermodynamic properties. The experimental results are compared quantitatively to calculations using a variety of theoretical and numerical methods (DMRG, ED) of the ground state and excitations of such systems. Key results are the determination of the Hamiltonian and its exchange parameters of (C5H12N)2CuCl4 studied here for the first time from quantitative modelling of magnetic susceptibility and neutron spectroscopy data. When a magnetic field is applied two quantum critical points occur at which fractionalization of the elementary quasi-particle excitations is ob- served. The characteristic excitation continua are explained by effective spin-chain and t-J models and are observed systematically as a function of magnetic field and temperature. Coherent and incoherent spin Luttinger-liquid physics is observed and for the first time modelled fully quantitatively. The chemical flexibility of the these metal-organic compounds allows continuous solid-state mixtures of Br and Cl resulting in systems with quenched disorder. The rung and leg exchange parameters assume discrete values given by the specific chemical composition of the exchange pathways. The influence of such quenched disorder on the excitations of quantum spin ladders has been studied experimentally. The observed spectra with damped excitations of the unperturbed ladder and more localized modes provide detailed insights into the physics that may be observed in such systems if a magnetic field is applied and so called Bose glass phases are induced.
We have obtained an analytic expression for the k-dependence of the excitation energy gap for an arbitrary double S = 1/2 spin chain by using the non-local unitary transformation and the variational method. We check that it explains the gap behaviour of various systems, which include the Haldane system and the dimer system in both extreme limits, and also the ladder model and the Majumdar - Ghosh model. The string order parameter, the dimer order parameter, and the local spin value are also calculated in the ground state. The ground-state energy exhibits a great stabilization by an antiferromagnetic bond dimerization, which might be realized in various new compounds. We also mention the relation of the convergence to the Haldane state with the spin-exchange symmetry of the model. The excited state has one domain wall of a local triplet type except in the vicinity of the Majumdar - Ghosh point, where a local triplet is decomposed into two S = 1/2 free spins moving among the singlet dimers.