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Journal of Physics Condensed Matter

Static and dynamic magnetic properties of coupled spin-1/2 antiferromagnetic chains

Аплеснин Сергей Степанович

Published Aug 29, 2000• 2 citations
Publisher

Abstract

Calculations of the thermodynamic quantities, and the spectra of spinons, triplet excitations, and two-particle spin-singlet (Δ S z = 0,±1) excitations for a weakly coupled antiferromagnetic S = 1/2 spin chain are made using a mean-field approximation for the interchain couplings ( J 2 ) by the quantum Monte Carlo method. The mass gaps in these excitation spectra are estimated as functions of the interchain coupling. The critical field H c , and the temperatures at which the spinon and singlet gaps close ( T 1 and T 2 , respectively) are obtained. Some peculiarities of the staggered magnetization, the specific heat, and the spin-spin correlation function are found at T 1 = 0.9 J 2 , T 2 = 1.5 J 2 , H c = 3.8 J 2 , as determined by linear function fitting for J 2 / J 1 <0.15. The intrachain and interchain couplings, and the staggered magnetization for KCuF 3 , Sr 2 CuO 3 , and Ca 2 CuO 3 are estimated, and mass gaps are predicted to exist in the spectra of the spinons and the singlet two-particle excitations.

DOI
10.1088/0953-8984/12/37/316

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Calculations of the thermodynamic quantities, and the spectra of spinons, triplet excitations, and two-particle spin-singlet (Δ S z = 0,±1) excitations for a weakly coupled antiferromagnetic S = 1/2 spin chain are made using a mean-field approximation for the interchain couplings ( J 2 ) by the quantum Monte Carlo method. The mass gaps in these excitation spectra are estimated as functions of the interchain coupling. The critical field H c , and the temperatures at which the spinon and singlet gaps close ( T 1 and T 2 , respectively) are obtained. Some peculiarities of the staggered magnetization, the specific heat, and the spin-spin correlation function are found at T 1 = 0.9 J 2 , T 2 = 1.5 J 2 , H c = 3.8 J 2 , as determined by linear function fitting for J 2 / J 1 <0.15. The intrachain and interchain couplings, and the staggered magnetization for KCuF 3 , Sr 2 CuO 3 , and Ca 2 CuO 3 are estimated, and mass gaps are predicted to exist in the spectra of the spinons and the singlet two-particle excitations.
The spectrum of the two-particle spin-singlet (Δ S z = 0,±1) excitations of a weakly coupled antiferromagnetic spin-1/2 alternating ( J 1 ±δ) chain is calculated using a mean-field approximation for the interchain exchange ( J 2 ) by the quantum Monte Carlo method. The bandwidth change of these excitations, the mass gaps in the singlet-singlet excitation spectrum, the top boundaries of the bands and the velocities of these excitations are estimated as functions of the alternating bond δ. The temperatures at which the singlet gaps close are determined.
Static and dynamical properties of weakly coupled antiferromagnetic spin chains are treated using a mean-field approximation for the interchain coupling and exact results for the resulting effective one-dimensional problem. Results for staggered magnetization, N\'eel temperature, and spin wave excitations are in agreement with experiments on KCuF3{\mathrm{KCuF}}_{3}KCuF3​. The existence of a narrow longitudinal mode is predicted. The results are in agreement with general scaling arguments, contrary to spin wave theory.
Using large-scale determinant quantum Monte Carlo simulations in combination with the stochastic analytical continuation, we study two-particle dynamical correlation functions in the anisotropic square lattice of weakly coupled one-dimensional (1D) Hubbard chains at half filling and in the presence of weak frustration. The evolution of the static spin structure factor upon increasing the interchain coupling is suggestive of the transition from the power-law decay of spin-spin correlations in the 1D limit to long-range antiferromagnetic order in the quasi-1D regime and at T=0T=0T=0. In the numerically accessible regime of interchain couplings, the charge sector remains gapped. The low-energy momentum dependence of the spin excitations is well described by the linear spin-wave theory with the largest intensity located around the antiferromagnetic wave vector. This magnon mode corresponds to a bound state of two spinons. At higher energies the spinons deconfine and we observe signatures of the two-spinon continuum which progressively fade away as a function of interchain hopping.
The thermodynamics of coupled frustrated ferromagnetic chains is studied within a spin-rotation-invariant Green's-function approach. We consider an isotropic Heisenberg spin-half system with a ferromagnetic in-chain coupling J1<0{J}_{1}<0J1​<0 between nearest neighbors and a frustrating antiferromagnetic next-nearest-neighbor in-chain coupling J2>0{J}_{2}>0J2​>0. We focus on the moderate strength of frustration J2<∣J1∣/4{J}_{2}<|{J}_{1}|/4J2​<∣J1​∣/4 such that the in-chain spin-spin correlations are predominantly ferromagnetic. We consider two interchain couplings (ICs) ${J}_{\ensuremath{\perp},y}$ and ${J}_{\ensuremath{\perp},z}$, corresponding to the two axes perpendicular to the chain, where ferromagnetic as well as antiferromagnetic ICs are taken into account. We discuss the influence of frustration on the ground-state properties for antiferromagnetic ICs, where the ground state is of a quantum nature. The major part of our study is devoted to the finite-temperature properties. We calculate the critical temperature Tc{T}_{c}Tc​ as a function of the competing exchange couplings ${J}_{2},{J}_{\ensuremath{\perp},y},{J}_{\ensuremath{\perp},z}$. We find that for fixed ICs, Tc{T}_{c}Tc​ decreases monotonically with increasing frustration J2{J}_{2}J2​, where as ${J}_{2}\ensuremath{\rightarrow}|{J}_{1}|/4$ the Tc(J2){T}_{c}({J}_{2})Tc​(J2​) curve drops down rapidly. To characterize the magnetic ordering below and above Tc{T}_{c}Tc​, we calculate the spin-spin correlation functions $\ensuremath{\langle}{\mathbf{S}}_{0}{\mathbf{S}}_{\mathbf{R}}\ensuremath{\rangle}$, the magnetic order parameter MMM, the uniform static susceptibility ${\ensuremath{\chi}}_{0}$, as well as the correlation length $\ensuremath{\xi}$. Moreover, we discuss the specific heat CV{C}_{V}CV​ and the temperature dependence of the excitation spectrum ${\ensuremath{\omega}}_{\mathbf{q}}$. As ${J}_{2}\ensuremath{\rightarrow}|{J}_{1}|/4$, some unusual frustration-induced features were found, such as an increase of the in-chain spin stiffness (in the case of ferromagnetic ICs) or of the in-chain spin-wave velocity (in the case of antiferromagnetic ICs) with growing temperature.
The thermodynamic properties of the weakly interacting spin-1/2 and spin-1 chains with the intrachain coupling J and interchain coupling $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{J}$ are studied by using the linear renormalization-group method. The magnetic susceptibility of the weakly interacting s=1/2s=1/2s=1/2 quantum anisotropic Heisenberg chains in the longitudinal field (h) is investigated. The scaling shifts of the parallel susceptibility maxima in the external magnetic field are considered. The same method is used to study the specific heat and susceptibility of the weakly interacting S=1S=1S=1 Ising models. In the special case (Blume-Capel model) the phase diagram with critical and first-order transition lines is found. The location of the tricritical point for $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{J}/J=0.2$ is estimated.
To allow for a comparison of theoretical predictions for spin chains with experimental data, it is often important to take impurity effects as well as interchain couplings into account.Here we present the field theory for finite spin chains at finite temperature and calculate experimentally measurable quantities like susceptibilities and nuclear magnetic resonance spectra.For the interchain couplings we concentrate on geometries relevant for cuprate spin chains like Sr 2 CuO 3 and SrCuO 2 .The field theoretical results are compared to experimental as well as numerical data obtained by the density matrix renormalization group.