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arXiv:1201.5276

Statics and dynamics of weakly coupled antiferromagnetic spin-1/2 ladders in a magnetic field (PhD thesis)

Pierre Bouillot

Published Jan 18, 2012• 0 citations
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Abstract

We investigate weakly coupled spin-1/2 ladders in a magnetic field. The work is motivated by recent experiments on the compound $\mathrm{(C_5H_{12}N)_2CuBr_4}$ (BPCB). We use a combination of numerical and analytical methods, in particular the density matrix renormalization group (DMRG) technique, to explore the phase diagram and the excitation spectra of such a system. We give detailed results on the temperature dependence of the magnetization and the specific heat, and the magnetic field dependence of the nuclear magnetic resonance (NMR) relaxation rate of single ladders. For coupled ladders, treating the weak interladder coupling within a mean field approach, we compute the transition temperature of triplet condensation and its corresponding antiferromagnetic order parameter. Existing experimental measurements are discussed and compared to our theoretical results. Furthermore we compute, using time dependent DMRG, the dynamical correlations of a single spin ladder. Our results allow to directly describe the inelastic neutron scattering cross section up to high energies. We focus on the evolution of the spectra with the magnetic field and compare their behavior for different couplings. The characteristic features of the spectra are interpreted using different analytical approaches such as the mapping onto a spin chain, a Luttinger liquid (LL) or onto a t-J model. For values of parameters for which such measurements exist, we compare our results to inelastic neutron scattering experiments on the compound BPCB and find excellent agreement. We make additional predictions for the high energy part of the spectrum that are potentially testable in future experiments.

DOI
10.48550/arxiv.1201.5276

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We investigate weakly coupled spin-1/21/21/2 ladders in a magnetic field. The work is motivated by recent experiments on the compound (CH12N)CuBr4{(}_{\mathrm{C}}{\mathrm{H}}_{12}{\mathrm{N}}_{)}{\mathrm{CuBr}}_{4}(C​H12​N)​CuBr4​ (BPCB). We use a combination of numerical and analytical methods, in particular, the density-matrix renormalization group (DMRG) technique, to explore the phase diagram and the excitation spectra of such a system. We give detailed results on the temperature dependence of the magnetization and the specific heat, and the magnetic-field dependence of the nuclear-magnetic-resonance relaxation rate of single ladders. For coupled ladders, treating the weak interladder coupling within a mean-field or quantum Monte Carlo approach, we compute the transition temperature of triplet condensation and its corresponding antiferromagnetic order parameter. Existing experimental measurements are discussed and compared to our theoretical results. Furthermore, we compute, using time-dependent DMRG, the dynamical correlations of a single spin ladder. Our results allow to describe directly the inelastic neutron scattering cross section up to high energies. We focus on the evolution of the spectra with the magnetic field and compare their behavior for different couplings. The characteristic features of the spectra are interpreted using different analytical approaches such as the mapping onto a spin chain, a Luttinger liquid or onto a ttt-JJJ model. For values of parameters for which such measurements exist, we compare our results to inelastic neutron scattering experiments on the compound BPCB and find excellent agreement. We make additional predictions for the high-energy part of the spectrum that are potentially testable in future experiments.
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 present a 14N nuclear magnetic resonance study of a single crystal of CuBr4(C5H12N)2 (BPCB) consisting of weakly coupled spin-1/2 Heisenberg antiferromagnetic ladders. Treating ladders in the gapless phase as Luttinger liquids, we are able to fully account for (i) the magnetic field dependence of the nuclear spin-lattice relaxation rate T1(-1) at 250 mK and for (ii) the phase transition to a 3D ordered phase occurring below 110 mK due to weak interladder exchange coupling. BPCB is thus an excellent model system where the possibility to control Luttinger liquid parameters in a continuous manner is demonstrated and the Luttinger liquid model tested in detail over the whole fermion band.
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This thesis is concerned with the numerical study of one-dimensional (1D) spin-1/2 quantum magnets and related method development. Its focus is on the calculation of dynamical spin correlation functions both at zero and finite temperature. This is motivated by the accessibility of dynamical quantities in experiments such as inelastic neutron scattering (INS) and electron spin resonance (ESR). The numerical methods used in this thesis are based on extensions of the density-matrix renormalization group (DMRG) and are formulated in the framework of matrix product states (MPS). While zero-temperature dynamical correlation functions are computed with existing MPS frequency-domain methods, an MPS frequency-domain approach for their calculation at finite temperature is developed in this thesis. The new method combines the Liouville-space formulation of the dynamics with a moment expansion of the dynamical correlation function. The majority of the results are obtained via MPS-based Chebyshev expansions. These numerical techniques are applied to two different model systems describing real materials. The first one is the material copper pyrimidine dinitrate (Cu-PM) which is modeled by a 1D spin-1/2 Heisenberg antiferromagnet with Dzyaloshinskii-Moriya interactions. The spin dynamics of this model is studied in an applied magnetic field and compared to ESR experiments. Zero-temperature calculations for momentum- and frequency-resolved dynamical quantities give direct access to the intensity of the elementary excitations and go beyond the low-energy description by the quantum sine-Gordon model. Thus, a deviation from the Lorentz invariant dispersion for the single-soliton resonance is found. The presence of the strongest boundary bound state previously predicted from a boundary sine-Gordon field theory is confirmed, while composite boundary-bulk excitations have too low intensities to be found in the numerical results. At finite temperature, there is a temperature-induced crossover of the soliton. Moreover, additional temperature effects such as interbreather transitions emerge, which is confirmed by accompanying ESR experiments on Cu-PM over a wide range of the applied field strength. The second system studied in this thesis is the compound BaCu2_22​V2_22​O8_88​. It is shown that the magnetic properties of this quasi-1D material can be described by a strongly alternating antiferromagnetic-ferromagnetic spin-1/2 Heisenberg chain. As found for other dimerized systems, the strong correlations in BaCu2_22​V2_22​O8_88​ persist even at elevated temperatures. Moreover, these correlations lead to an asymmetric lineshape broadening of the magnetic excitations at finite temperature. Upon raising the temperature, an increasingly asymmetric lineshape is observed in high-resolution INS experiments for BaCu2_22​V2_22​O8_88​. In this thesis, the lineshape is calculated by the MPS finite-temperature method developed as a part of this work. Comparing these results to the INS data and the lineshape obtained by a diagrammatic approach, excellent agreement is found over a broad temperature range. This demonstrates that coherent quantum behavior persists at elevated temperatures in BaCu2_22​V2_22​O8_88​ and that it can be predicted quantitatively.
This dissertation is a systematic theoretical effort to investigate the low-energy properties of random antiferromagnetic quantum spin-1/2 systems beyond one dimension. We use the celebrated real space renormalization group (RSRG) technique developed by Dasgupta, Ma, and Hu to understand the static and dynamic properties of random antiferromagnetic spin-1/2 ladders and weakly coupled random antiferromagnetic spin-1/2 chains. Pure antiferromagnetic spin-1/2 ladders are known to be in the spin liquid phase with a ¯nite energy gap in the excitation spectrum and a short range spin-spin correlation. We are interested in investigating the nature of these systems when disorder, controlled by bond randomness and the presence of impurities, is introduced. Using real-space renormalization group method we are able to find that when disorder comes from bond randomness only, the system flows into a Griffith phase which is characterized by non-universal diverging spin susceptibility and short-range spin-spin correlation. When impurities with spin 0 or 1 are introduced into the system, the system flows into a different fixed point which is controlled by large effective spins whose susceptibility is characterized by a universal Curie-like 1=T behavior. This conclusion holds for any impurities with integer spin. We also study the low-energy collective excitations and dynamical response functions of weakly coupled random antiferromagnetic spin-1/2 chains at low temperature whose low energy properties are governed by the strong-randomness fixed point. By combining RSRG technique to tackle the intrachain couplings and Random Phase Approximation (RPA) formalism for the interchain couplings, we show that the system supports collective spin wave excitations with linear dispersions and calculate the spin wave velocity in terms of microscopic parameters of the chain. Our result agrees with the measured dispersion for Zn-doped CuGeO3 where it shows a linear dispersion along the chain. We predict the spectra weight within RPA which can be qualitatively compared to the scattering intensity in the Inelastic Neutron Scattering experiment.