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Impurity effects in antiferromagnetic quantum spin-1/2 chains

Sebastian Eggert

Published Jan 1, 2009• 1 citation
Publisher

Abstract

We calculate the effects of a single impurity in antiferromagnetic quantum spin-1/2 chains with the help of one-dimensional quantum field theory and renormalization group tech niques in the low temperature limit. We are able to present numerical evidence from ex act diagonalization, numerical Bethe ansatz, and quantum Monte Carlo methods, which support our findings. Special emphasis has been put on impurity effects on the local susceptibility in the chain, because of the experimental relevance of this quantity. We propose a muon spin resonance experiment on quasi one-dimensional spin compounds, which may show some of the impurity effects.

DOI
10.14288/1.0085486

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We calculate the effects of a single impurity in antiferromagnetic quantum spin-1/2 chains with the help of one-dimensional quantum field theory and renormalization group tech niques in the low temperature limit. We are able to present numerical evidence from ex act diagonalization, numerical Bethe ansatz, and quantum Monte Carlo methods, which support our findings. Special emphasis has been put on impurity effects on the local susceptibility in the chain, because of the experimental relevance of this quantity. We propose a muon spin resonance experiment on quasi one-dimensional spin compounds, which may show some of the impurity effects.
We study by Monte Carlo simulations a magnetic impurity coupled antiferromagnetically to a one-dimensional quantum spin model. The impurity susceptibility and the spin-correlation function are calculated. By defining and evaluating an energy scale from the inverse of the impurity susceptibility at zero temperature, we find a scaling relation for the impurity susceptibility in agreement with the prediction of the conformal field theory. We analyze the problem by mapping the spin model onto the resonant-level model, and interpret the energy scale as the resonant-level width. The spin-correlation function between the impurity spin and the spins in the chain is found to extend over long range at low temperatures. We show that the system can be considered as a model of an insulator with heavy-fermion behavior.
By extending White's density-matrix renormalization group (DMRG) technique to finite temperatures, we calculate the impurity susceptibility for the following systems: (a) a spin-1/2 impurity coupled to a single site of an antiferromagnetic Heisenberg spin-1/2 chain and (b) an impurity coupled symmetrically to the two spins at the open ends of the chain. We also perform a Monte Carlo simulation and show that the DMRG adaptation gives reliable results. The calculated impurity susceptibility shows Pauli-like behavior at low temperatures in the former case while a ln T divergence is found in the latter case, in agreement with predictions based on conformal field theory.
The thermodynamics of finite open antiferromagnetic XXZ chains is studied using field theory, Bethe ansatz and quantum Monte Carlo methods. For the susceptibility a parameter-free result as a function of the number of sites L and temperature T beyond the scaling limit is derived. The limiting cases ( J being the exchange constant), where the boundary correction shows a logarithmically suppressed Curie behaviour, and , where a crossover to the ground state behaviour takes place, are discussed in detail. On the basis of this analysis we present a simple formula for the averaged susceptibility of a spin-1/2 chain doped with non-magnetic impurities. We show that the effective Curie constant has a highly non-trivial temperature dependence and shows scaling in the low temperature limit. Finally, corrections due to intrachain and interchain couplings and implications for experiments on Sr 2 Cu 1− x Pd x O 3+δ and related compounds are discussed.
In the framework of the exactly solvable model, using nonperturbative methods, the temperature and magnetic field behavior of the NMR relaxation rate (and low-energy dynamical structure factor) for the antiferromagnetic Heisenberg spin-1/2 chain with magnetic impurities is calculated. For a single magnetic impurity, totally screened at low temperatures by spinons of the chain, the critical exponents, which determine the low-temperature and magnetic field behavior, get renormalized. For the finite concentration of impurities with the random distribution of the impurity-chain coupling the weak disorder in the distribution does not produce essential changes to the dynamical structure factor. Contrary, the strong disorder yields drastically different behavior of the low-energy dynamical characteristics, comparing to the homogeneous chain. Our results are generic, and they qualitatively agree in limiting cases with the results of perturbative calculations for disordered spin chains and with the data of experiments on quasi-one-dimensional spin compounds.
The Kondo effect in a one-dimensional spin-12\frac{1}{2}21​ XXZ\mathrm{XXZ}XXZ model in the gapless XY\mathrm{XY}XY regime $(\ensuremath{-}1<\ensuremath{\Delta}<~1)$ is studied both analytically and numerically. In our model an impurity spin (S=1/2)(S=1/2)(S=1/2) is coupled to a single spin in the XXZ\mathrm{XXZ}XXZ spin chain. Perturbative renormalization-group (RG) analysis is performed for various limiting cases to deduce low-energy fixed points. It is shown that in the ground state the impurity spin is screened by forming a singlet with a spin in the host XXZ\mathrm{XXZ}XXZ chain. In the antiferromagnetic side $(0<\ensuremath{\Delta}<~1)$ the host chain is cut into two semi-infinite chains by the singlet. In the ferromagnetic side $(\ensuremath{-}1<\ensuremath{\Delta}<0),$ on the other hand, the host XXZ\mathrm{XXZ}XXZ chain remains as a single chain through ``healing'' of a weakened bond in the low-energy (long-distance) limit. The density-matrix renormalization-group method is used to study the size scaling of finite-size energy gaps and the power-law decay of correlation functions in the ground state. The numerical results are in good agreement with the predictions of the RG analysis. Low-temperature behaviors of specific heat and susceptibility are also discussed.
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.