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arXiv:cond-mat/9911483 · Physical review. B, Condensed matter

Semiclassical approach to the thermodynamics of spin chains

Alessandro Cuccoli, V. Tognetti, Paola Verrucchi, Ruggero Vaia

Published Jul 1, 2000• 8 citations
arXivHTMLPDF

Abstract

Using the semiclassical method called pure-quantum self-consistent harmonic approximation (PQSCHA), we evaluate thermodynamic quantities of one-dimensional Heisenberg ferromagnets and antiferromagnets. Since the PQSCHA reduces their evaluation to classical-like calculations, we take advantage of Fisher's exact solution [M. E. Fisher, Am J. Phys. 32, 343 (1964)] to get all results in an almost fully analytical way. Explicitly considered here are the specific heat, the correlation length, and the susceptibility. Good agreement with available numerical data and Monte Carlo simulations is found for $S>1$ ferromagnets and antiferromagnets; for the latter it is seen that topological terms and the related Haldane gap are relevant only for the lowest spin values and temperatures.

DOI
10.1103/physrevb.62.57

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Using the semiclassical method called pure-quantum self-consistent harmonic approximation (PQSCHA), we evaluate thermodynamic quantities of one-dimensional Heisenberg ferromagnets and antiferromagnets. Since the PQSCHA reduces their evaluation to classical-like calculations, we take advantage of Fisher's exact solution [M. E. Fisher, Am J. Phys. 32, 343 (1964)] to get all results in an almost fully analytical way. Explicitly considered here are the specific heat, the correlation length, and the susceptibility. Good agreement with available numerical data and Monte Carlo simulations is found for S>1S>1S>1 ferromagnets and antiferromagnets; for the latter it is seen that topological terms and the related Haldane gap are relevant only for the lowest spin values and temperatures.
The thermodynamic properties of the quantum ferromagnetic chain with easy-plane single-ion anisotropy are evaluated over a wide temperature range. The basic theoretical method is a recently proposed one, called the pure-quantum self-consistent harmonic approximation (PQSCHA), which, starting from the original Hamiltonian operator scr\ifmmode \hat{H}\else \^{H}\fi{}, allows the definition of an effective classical Hamiltonian scrHeff{\mathit{scrH}}_{\mathrm{eff}}scrHeff​. We use the Villain transformation to canonical conjugate variables, in order to treat the quantum renormalizations within this framework. In the resulting effective Hamiltonian we restore classical spin variables, according to the classical counterpart of the Villain transformation. Provided that the quantum coupling parameter (which depends on the spin value and on the anisotropy constant) is not too large, this effective Hamiltonian is able to account for the quantum behavior, by means of classical-like calculations. We present a number of results for various quantum thermodynamic quantities, obtained numerically by the classical transfer-matrix method. Moreover, we also calculate static spin correlation functions. Finally, the case of the real ferromagnet CsNiF3{\mathrm{CsNiF}}_{3}CsNiF3​ is considered; even though the corresponding easy-plane anisotropy is rather weak, the experimental data for this system are shown to be well reproduced.
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.
Thermodynamic properties of the quantum Heisenberg spin chains with S=1/2,S=1/2,S=1/2, 1, and 3/23/23/2 are investigated using the transfer-matrix renormalization-group method. The temperature dependence of the magnetization, susceptibility, specific heat, spin-spin correlation length, and several other physical quantities in a zero or finite applied field are calculated and compared. Our data agree well with the Bethe ansatz, exact diagonalization, and quantum Monte Carlo results and provide further insight into the quantum effects in the antiferromagnetic Heisenberg spin chains.
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 use a quantum O(N) nonlinear \ensuremath{\sigma} model to describe one-dimensional quantum Heisenberg antiferromagnets with integer spin S. A large-N analytical treatment of this effective theory leads to definite predictions for thermodynamic quantities in the low-temperature regime. We obtain the Haldane gap as a function of the temperature and note a trend similar to that found in the compound NENP. The specific heat and magnetic susceptibility are also obtained and comparison with exact numerical results for the S=1 spin chain allows us to determine the domain of validity of our approximation. By a calculation at subleading 1/N order we compute the quasiparticle lifetime. Results are given on-shell, for the width observed at the quasiparticle pole as seen in neutron-scattering experiments, and also off-shell, for the NMR relaxation rate ${\mathit{T}}_{1}^{\mathrm{\ensuremath{-}}1}$. The phenomenological interacting boson model is compared with our approach. We discuss the effects of anisotropy and compare our results with present experiments on NENP.