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Physical review. B, Condensed matter

Spectral-density method for classical systems: Heisenberg ferromagnet

L. S. Campana, Alvaro Caramico D’Auria, M. D’Ambrosio, Ugo Esposito, L. De Cesare, G. Kamieniarz

Published Sep 1, 1984• 24 citations
Publisher

Abstract

We formulate the spectral-density method in classical statistical mechanics in strict analogy with the known quantum version, and we apply it to the classical Heisenberg ferromagnetic model in an external field. A new formula for the magnetization in the classical formulation of spin-vector Green functions is derived for arbitrary spatial dimensionality. Furthermore, the static properties of the one- and three-dimensional cases are considered in detail. We obtain accurate results over a wide range of temperatures with the external field for the one-dimensional model and without field for the three-dimensional model. In the first case very good agreement with the exact numerical transfer-matrix data is also found in the region of higher temperature where the interacting-boson approach fails. In particular the zero-field susceptibility results are found to be consistent with the exact results obtained by Fisher.

DOI
10.1103/physrevb.30.2769

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Classical Heisenberg Model

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Exact expressions for the partition function, spin pair correlation function, and susceptibility of the onedimensional isotropic classical Heisenberg model are obtained in zero external field with cyclic boundary conditions. It is shown that the methods used to derive these results enable the partition functions and susceptibilities of finite clusters of interacting classical spins to be evaluated in terms of the $3n\ensuremath{-}j$ symbols of Wigner. Exact results in one dimension are also obtained for the partition function and susceptibility of a "planar" classical Heisenberg model. In this model the spin vectors interact via a Heisenberg coupling but each spin vector is restricted to lie in a plane.The anisotropic classical Heisenberg model described by the Hamiltonian $\mathcal{H}=\ensuremath{-}\ensuremath{\Sigma}\stackrel{}{(\mathrm{ij})}2({{J}_{\mathrm{ij}}}^{x}{{s}_{i}}^{x}{{s}_{j}}^{x}+{{J}_{\mathrm{ij}}}^{y}{{s}_{i}}^{y}{{s}_{j}}^{y}+{{J}_{\mathrm{ij}}}^{z}{{s}_{i}}^{z}{{s}_{j}}^{z})\ensuremath{-}mH\ensuremath{\Sigma}\stackrel{N}{j=1}{{s}_{i}}^{z},$ where ${{s}_{i}}^{x}$, ${{s}_{i}}^{y}$, and ${{s}_{i}}^{z}$ are components of the unit vector ${\mathbf{s}}_{i}$, is also considered. A perturbation series for the zero-field free energy of the anisotropic model in one dimension with nearest-neighbor interactions ${{J}_{\mathrm{ij}}}^{x}={{J}_{\mathrm{ij}}}^{y}=J$ and ${{J}_{\mathrm{ij}}}^{z}=\ensuremath{\gamma}J$ is developed in powers of $\ensuremath{\gamma}\ensuremath{-}1$ using the isotropic model as the unperturbed system. Detailed calculations are performed to third order in $\ensuremath{\gamma}\ensuremath{-}1$. It is found that the perturbation series for the energy per spin breaks down as $T\ensuremath{\rightarrow}0$. A high-temperature series expansion for the anisotropic model, which is valid for a general interaction potential and lattice, is derived by generalizing the methods developed by Horwitz and Callen for the Ising model. This series is rearranged to give a simplified diagram expansion. Finally, a practical technique for calculating the high-temperature series expansions of the zero-field free energy and susceptibility of the isotropic classical Heisenberg model is presented.

Physical Review•Mar 10, 1967•196 citations
We formulate the spectral-density method in classical statistical mechanics in strict analogy with the known quantum version, and we apply it to the classical Heisenberg ferromagnetic model in an external field. A new formula for the magnetization in the classical formulation of spin-vector Green functions is derived for arbitrary spatial dimensionality. Furthermore, the static properties of the one- and three-dimensional cases are considered in detail. We obtain accurate results over a wide range of temperatures with the external field for the one-dimensional model and without field for the three-dimensional model. In the first case very good agreement with the exact numerical transfer-matrix data is also found in the region of higher temperature where the interacting-boson approach fails. In particular the zero-field susceptibility results are found to be consistent with the exact results obtained by Fisher.
In this article we review a less known unperturbative and powerful many-body method in the framework of classical statistical mechanics and then we show how it works by means of explicit calculations for a nontrivial classical model. The formalism of two-time Green functions in classical statistical mechanics is presented in a form parallel to the well known quantum counterpart, focusing on the spectral properties which involve the important concept of spectral density. Furthermore, the general ingredients of the classical spectral density method (CSDM) are presented with insights for systematic nonperturbative approximations to study conveniently the macroscopic properties of a wide variety of classical many-body systems also involving phase transitions. The method is implemented by means of key ideas for exploring the spectrum of elementary excitations and the damping effects within a unified formalism. Then, the effectiveness of the CSDM is tested with explicit calculations for the classical ddd-dimensional spin-SSS Heisenberg ferromagnetic model with long-range exchange interactions decaying as r−pr^{-p}r−p (p>dp>dp>d) with distance rrr between spins and in the presence of an external magnetic field. The analysis of the thermodynamic and critical properties, performed by means of the CSDM to the lowest order of approximation, shows clearly that nontrivial results can be obtained in a relatively simple manner already to this lower stage. The basic spectral density equations for the next higher order level are also presented and the damping of elementary spin excitations in the low temperature regime is studied. The results appear in reasonable agreement with available exact ones and Monte Carlo simulations and this supports the CSDM as a promising method of investigation in classical many-body theory.
The thermodynamic properties of a classical spin-SSS Heisenberg ferromagnetic chain with long-range interactions in the presence of an external magnetic field are investigated by means of the spectral density method within the framework of the two-time Green's functions in classical statistical mechanics. For exchange interactions decaying as ${r}^{\ensuremath{-}\ensuremath{\alpha}},$ it is shown that long-range order exists at finite temperature for $1<\ensuremath{\alpha}<2$ and that no transition to a ferromagnetic phase at any finite temperature occurs for $\ensuremath{\alpha}>~2,$ consistently with a recent extension of the Mermin-Wagner theorem to spin models with long-range interactions. Besides, by means of a suitable modification of the lowest-order moment equations for the spectral density, the critical temperature and the main critical exponents for $1<\ensuremath{\alpha}<2$ and the low-temperature behavior of the paramagnetic susceptibility for $\ensuremath{\alpha}>~2$ are also obtained. Our results appear in a reasonable agreement with the available exact ones and Monte Carlo calculations.
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 Green's function formalism proposed by Kondo and Yamaji for low-dimensional spin systems with S =1/2 has been extended to the cases of S >1/2. We apply this formalism to the study of one- and two-dimensional Heisenberg ferromagnets over the whole temperature range. It is shown that our theory can reproduce the correct results obtained by the high-temperature expansion method. On the other hand, the results at low temperatures are similar to those of the modified spin-wave theory, which is considered to predict the low-temperature properties of such systems rather correctly. The gross behaviors of the calculated thermodynamic quantities of ferromagnetic Heisenberg chains agree with those obtained by the exact diagonalization method.
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.
Exact expressions for the partition function, spin pair correlation function, and susceptibility of the onedimensional isotropic classical Heisenberg model are obtained in zero external field with cyclic boundary conditions. It is shown that the methods used to derive these results enable the partition functions and susceptibilities of finite clusters of interacting classical spins to be evaluated in terms of the $3n\ensuremath{-}j$ symbols of Wigner. Exact results in one dimension are also obtained for the partition function and susceptibility of a "planar" classical Heisenberg model. In this model the spin vectors interact via a Heisenberg coupling but each spin vector is restricted to lie in a plane.The anisotropic classical Heisenberg model described by the Hamiltonian $\mathcal{H}=\ensuremath{-}\ensuremath{\Sigma}\stackrel{}{(\mathrm{ij})}2({{J}_{\mathrm{ij}}}^{x}{{s}_{i}}^{x}{{s}_{j}}^{x}+{{J}_{\mathrm{ij}}}^{y}{{s}_{i}}^{y}{{s}_{j}}^{y}+{{J}_{\mathrm{ij}}}^{z}{{s}_{i}}^{z}{{s}_{j}}^{z})\ensuremath{-}mH\ensuremath{\Sigma}\stackrel{N}{j=1}{{s}_{i}}^{z},$ where six{{s}_{i}}^{x}si​x, siy{{s}_{i}}^{y}si​y, and siz{{s}_{i}}^{z}si​z are components of the unit vector si{\mathbf{s}}_{i}si​, is also considered. A perturbation series for the zero-field free energy of the anisotropic model in one dimension with nearest-neighbor interactions Jijx=Jijy=J{{J}_{\mathrm{ij}}}^{x}={{J}_{\mathrm{ij}}}^{y}=JJij​x=Jij​y=J and ${{J}_{\mathrm{ij}}}^{z}=\ensuremath{\gamma}J$ is developed in powers of $\ensuremath{\gamma}\ensuremath{-}1$ using the isotropic model as the unperturbed system. Detailed calculations are performed to third order in $\ensuremath{\gamma}\ensuremath{-}1$. It is found that the perturbation series for the energy per spin breaks down as $T\ensuremath{\rightarrow}0$. A high-temperature series expansion for the anisotropic model, which is valid for a general interaction potential and lattice, is derived by generalizing the methods developed by Horwitz and Callen for the Ising model. This series is rearranged to give a simplified diagram expansion. Finally, a practical technique for calculating the high-temperature series expansions of the zero-field free energy and susceptibility of the isotropic classical Heisenberg model is presented.