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arXiv:0801.1201 · Journal of Statistical Mechanics Theory and Experiment

Thermodynamics of impurities in the anisotropic Heisenberg spin-1/2 chain

Jesko Sirker, Satoshi Fujimoto, Nicolas Laflorencie, Sebastian Eggert, Ian K. Affleck

Published Feb 29, 2008• 35 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1088/1742-5468/2008/02/p02015

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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.
We investigate the low-temperature thermodynamics of the spin-1/2 Heisenberg chain with open ends. On the basis of boundary conformal field theory arguments and numerical density matrix renormalization group calculations, it is established that in the isotropic case the impurity susceptibility exhibits a Curie-like divergent behavior as the temperature decreases, even in the absence of magnetic impurities. A similar singular temperature dependence is also found in the boundary contributions of the specific heat coefficient. In the anisotropic case, for 1/2<Delta<1, these boundary quantities still show a singular temperature dependence obeying a power law with an anomalous dimension. Experimental consequences will be discussed.
We study the magnetic susceptibility of one-dimensional S=1/2 antiferromagnets containing nonmagnetic impurities which cut the chain into finite segments. For the susceptibility of long anisotropic Heisenberg chain segments with open boundaries we derive a parameter-free result at low temperatures using field-theory methods and the Bethe ansatz. The analytical result is verified by comparing with quantum Monte Carlo calculations. We then show that the partitioning of the chain into finite segments can explain the Curie-like contribution observed in recent experiments on Sr2Cu(1-x)PdxO(3+delta). Possible additional paramagnetic impurities seem to play only a minor role.
We study the zero- and the finite-temperature behavior of the integrable spin-1/2 XXZ periodic chain with an impurity by the algebraic and thermal Bethe ansatz methods. We evaluate the local magnetization on the impurity site at zero temperature analytically and derive the impurity susceptibility exactly from it. In the graphs of the impurity specific heat versus temperature, we show how the impurity spin becomes more liberated from the bulk many-body effect as the exchange coupling between the impurity spin and other spins decreases and that at low temperature it couples strongly to them such as in the Kondo effect. Thus, we observe not only the crossover behavior from the high- to the low-temperature regime, but another from the N -site chain to the ( N − 1)-site chain with a free impurity spin. We also show that the estimate of the Wilson ratio at a given low temperature is independent of the impurity parameter if its absolute value is small enough with respect to the temperature and the universality class is described by the XXZ anisotropy in terms of the dressed charge.
Thermodynamic properties of S=1 antiferromagnetic Heisenberg chains with free and periodic boundaries are investigated by a quantum Monte Carlo method. In particular, temperature dependences of the specific heat, the magnetic susceptibility, and the hidden order parameter, which are inherent to the Haldane phase, are investigated. The specific heat turns out to have a peak at a temperature Tpeak{\mathit{T}}_{\mathrm{peak}}Tpeak​\ensuremath{\sim}2\ensuremath{\Delta}, where \ensuremath{\Delta} is the energy gap of the present model, although the temperature dependence of the specific heat is very similar to the Schottky type. In open chains, due to the fourfold degeneracy of the ground state, the magnetic susceptibility shows a Curie-like divergence regardless of the number of spins in the chain. The amplitude of the Curie-like divergence is consistent with the edge moments (S=1/2). On the other hand, it is confirmed that the long-range hidden order exists only in the ground state. How the hidden order grows as the temperature goes to zero (T\ensuremath{\rightarrow}0) is investigated by introducing an intrinsic correlation length ${\ensuremath{\xi}}_{\mathit{D}}$ of the ordering, which diverges as T\ensuremath{\rightarrow}0. A qualitative difference in fluctuations between the ground state and the finite-temperature states is discussed making use of snapshots of the transformed two-dimensional Ising system on which a Monte Carlo simulation is being performed.
We calculate the impurity susceptibility for a spin-1/2 magnetic impurity symmetrically coupled to its two nearest-neighbor spins in an antiferromagnetic Heisenberg spin-1/2 chain. This is done by extending White's density-matrix renormalization group (DMRG) technique to finite temperatures. It is found that the impurity susceptibility satisfies Curie law at low temperatures, and that the Curie constant decreases rapidly with increasing coupling constant between the impurity spin and the spins in the chain. For strong couplings, a logarithmic dependence of the susceptibility on temperature emerges. The Curie law behavior agrees with the DMRG analysis at zero temperature but deviates from the prediction of conformal field theory.