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Physical review. B, Condensed matter

Thermodynamic properties of one-dimensional spin-1 antiferromagnetic Heisenberg chains: Green’s-function approach

Shu-Qing Bao, Hu Zhao, Jue-Lian Shen, Guo-Zhen Yang

Published Jan 1, 1996• 24 citations
Publisher

Abstract

The one-dimensional spin-1 Heisenberg antiferromagnetic chains are studied by a generalized two-time Green's-function method at finite temperature. 〈${\mathit{S}}_{\mathit{i}}^{\mathit{z}}$〉 is set to zero at each site to guarantee the lack of the long-range order in the one-dimensional Heisenberg system. The Green's functions are decoupled in terms of the correlation functions of spin operators. A set of self-consistent equations of the correlation functions are derived and solved numerically. Correlation functions of spin operators, thermodynamic properties such as the internal energy, and specific heat in the entire temperature region are obtained. The Haldane gap in the excitation spectrum appears naturally in the analytical result. When k is zero, there is a gap 2\ensuremath{\Delta}, which is 1.0J and close to the theoretical result of White and Huse. And there is a broad maximum in the temperature dependence of the specific heat. The properties of the thermodynamic quantities are consistent with the numerical results on the finite chains. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevb.53.735

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The one-dimensional spin-1 Heisenberg antiferromagnetic chains are studied by a generalized two-time Green's-function method at finite temperature. 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 is set to zero at each site to guarantee the lack of the long-range order in the one-dimensional Heisenberg system. The Green's functions are decoupled in terms of the correlation functions of spin operators. A set of self-consistent equations of the correlation functions are derived and solved numerically. Correlation functions of spin operators, thermodynamic properties such as the internal energy, and specific heat in the entire temperature region are obtained. The Haldane gap in the excitation spectrum appears naturally in the analytical result. When k is zero, there is a gap 2\ensuremath{\Delta}, which is 1.0J and close to the theoretical result of White and Huse. And there is a broad maximum in the temperature dependence of the specific heat. The properties of the thermodynamic quantities are consistent with the numerical results on the finite chains. \textcopyright{} 1996 The American Physical Society.
The one-dimensional spin-1/2 Ising-Heisenberg ferromagnets are studied by the Green's function method at finite temperatures. The Green's function is decoupled in terms of the correlation functions of 〈S0z{\mathit{S}}_{0}^{\mathit{z}}S0z​Snz{\mathit{S}}_{\mathit{n}}^{\mathit{z}}Snz​〉 and 〈S0+{\mathit{S}}_{0}^{+}S0+​${\mathit{S}}_{\mathit{n}}^{\mathrm{\ensuremath{-}}}$〉 under the constraint of 〈Sz{\mathit{S}}^{\mathit{z}}Sz〉=0, from which a set of self-consistent equations are derived and solved numerically. The thermodynamic properties such as internal energy, specific heat, and zero-field parallel susceptibility are calculated. Our results predict the correct behavior for the correlation functions and thermodynamic quantities in the entire temperature region, in agreement both with the exact numerical results on the finite chain and the experimental data.
The one-dimensional Heisenberg model with S = 1/2 is treated with the use of the two-time Green's functions. The hierarchy of the equations of motion of the Green'f functions is decoupled at a stage one-step further than Tyablikov's decoupling. The thermal average of the spin component, ≪ Sz >, is set to zero, becaure the long-range order does not exist in one dimension. Instead, our Green's functions are expressed in terms of the correlation functions cn ≡4≪ S0zSnz >. The Green's function is essentially of the form representing undamped spin waves, whose spactrum depends on c1, c2 and one more parameter. They are determined by the requirement that c1 and c2 should be self-consistent and that c0 should be unity. The self-consistency equations have been solved analytically at high- and low-temperature limits, and also solved numerically in the whole range of the temperature. Thermodynamic quantities have been calculated using these solutions. It has turned out that the theory gives the correct high-temperature expansion for the thermodynamic quantities and the correlation functions. The latter is expressed by cn = (J / 4 kBT )n. In the case of ferromagnetic coupling, the correlation function cn at T = 0 is equal to 1/3 for all n's. This is what is expected from the correct ground state of the ferromagnetic Heisenberg system. The spin-wave spectrum at T = 0 also agrees with the correct one. At T ≪J/ kB, we find that the specific heat goes as T1/2 and the susceptibility goes as T-2. The gross feature of the temperature-dependence of the thermodynamic quantities agrees with Bonner and Fisher. In the case of the antiferromagnetic Heisenberg model, we find c1 = -0.55407 and c2 = 0.16100 at T = 0, which are fairly close to the exact values. The thermodynamic quantities are also in gross agreement with Bonner and Fisher.
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.
Thermodynamic properties of S=2 antiferromagnetic Heisenberg chains are studied not only under the periodic boundary condition but also under the open one employing a quantum Monte Carlo method. Temperature and size dependences of the energy, the specific heat, and the magnetic susceptibility are calculated and edge effects on them are investigated in detail. The specific heat shows a well-pronounced Schottky anomaly but the maximum is located at a temperature much larger than the Haldane gap of the system. As temperature goes to zero, the magnetic susceptibility vanishes for the periodic chains, while it diverges for the open chains. The edge contribution in the open-chain susceptibility is attributed to the two S=1 effective spins localized at the chain ends at low temperatures, while to an S=2 free spin at high temperatures. This is a visualization of a quantum-classical crossover and an evidence that the present model is a Haldane system. High-temperature behaviors of the thermodynamic quantities are also discussed with the help of a series-expansion method. \textcopyright{} 1996 The American Physical Society.
A zero-temperature renormalization group (RG) approach is applied to the one-dimensional, spin-1/2 antiferromagnetic Heisenberg dimerized (alternating) chain. Specifically, the ground state energy and lowest-lying spectral excitations are examined. The calculation indicates the existence of a gap in the spectrum of the dimerized chain which vanishes only in the limit of a uniform spin chain, in contrast to a recent Green’s function approach. The RG results are in reasonable agreement with numerical extrapolations on the exact eigenvalue spectrum of finite chains of up to 12 spins. Both methods are compared with several other approximate treatments of the Heisenberg system, and tested by comparison with exact results for the spin-1/2 XY dimerized chain.