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arXiv:cond-mat/0602446

The Classical Spectral Density Method at Work: The Heisenberg Ferromagnet

Cavallo, A., F. Cosenza, L. De Cesare

Published Feb 19, 2006• 3 citations
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Abstract

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 $d$-dimensional spin-$S$ Heisenberg ferromagnetic model with long-range exchange interactions decaying as $r^{-p}$ ($p>d$) with distance $r$ 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.

DOI
10.48550/arxiv.cond-mat/0602446

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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.
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.
We extend the formalism of the thermodynamic two-time Green's functions to nonextensive quantum statistical mechanics. Working in the optimal Lagrangian multiplier representation, the q -spectral properties and the methods for a direct calculation of the two-time q Green's functions and the related q -spectral density ( q measures the nonextensivity degree) for two generic operators are presented in strict analogy with the extensive (q=1) counterpart. Some emphasis is devoted to the nonextensive version of the less known spectral density method whose effectiveness in exploring equilibrium and transport properties of a wide variety of systems has been well established in conventional classical and quantum many-body physics. To check how both the equations of motion and the spectral density methods work to study the q -induced nonextensivity effects in nontrivial many-body problems, we focus on the equilibrium properties of a second-quantized model for a high-density Bose gas with strong attraction between particles for which exact results exist in extensive conditions. Remarkably, the contributions to several thermodynamic quantities of the q -induced nonextensivity close to the extensive regime are explicitly calculated in the low-temperature regime by overcoming the calculation of the q grand-partition function.
In the first part of the Thesis we mostly concentrate on spectral properties of strongly correlated systems and on their equilibrium properties. This is accomplished by the general concept of imaginary-time dynamics which we apply to a number of different problems in which different strengths of this approach emerge. In Chapter 1 we introduce the formalism that allows for a connection between the quantum and the classical worlds. The connection is established by means of the imaginary-time quantum evolution which, under certain circumstances, is shown to be equivalent to a classical stochastic process. It is further shown that exact static and spectral properties of correlated systems can be obtained when this mapping is feasible. The relationship between the imaginary-time dynamics in different frameworks such as the path-integral and the perturbative one is also underlined. In Chapter 2 we present a specific implementation of the general ideas previously presented. In particular we introduced an extension to lattice systems of the Reptation Monte Carlo algorithm [30] which benefits of a sampling scheme based on directed updates. Specific improvements over the existing methodologies consist in the unbiased evaluation of the imaginary-time path integrals for bosons and a systematic scheme to improve over the Fixed-node approximation for fermions. Applications to the Hubbard and the Heisenberg models are presented. In Chapter 3 we demonstrate the application of the imaginary-time dynamics to the exact study of spectral properties. Subject of our attention is a highly anharmonic and correlated quantum crystal such as Helium 4 at zero temperature.[33] Concerning this system, we have obtained the first ab-initio complete phonon dispersion in good agreement with neutron spectroscopy experiments. Moreover, we have also studied the density excitations of solid helium in a region of wave-vectors in between the collective (phonon) and the single-particle regimes, where the presence of residual coherence in the dynamics shows analogies between the highly anharmonic crystal and the superfluid phase. In Chapter 4 we introduce a novel method, based on the imaginary-time dynamics, to obtain unbiased estimates of fermionic properties.[34] By means of this method and of a very accurate variational state, we provide strong evidence for the stability of a saturated ferromagnetic phase in the high-density regime of the two-dimensional infinite-U Hubbard model. By decreasing the electron density, we observe a discontinuous transition to a paramagnetic phase, accompanied by a divergence of the susceptibility on the paramagnetic side. This behavior, resulting from a high degeneracy among different spin sectors, is consistent with an infinite-order phase transition scenario. In Chapter 5 the use of imaginary-time dynamics in the context of finite-temperature response functions is highlighted. As an application, we study an intriguing quantum phase featuring both glassy order and Bose-Einstein condensation. [35] We introduce and validate a model for the role of geometrical frustration in the coexistence of off-diagonal long range order with an amorphous density profile. The exact characterization of the response of the system to an external density perturbation is what allows here to establish the existence of a spin-glass phase. The differences between such a phase and the otherwise insulating "Bose glasses" are further elucidated in the Chapter. In the second part of the Thesis we focus our attention on the dynamics of closed systems out of equilibrium. This is accomplished by both non-stochastic exact methods for the dynamics and the introduction of a novel time-dependent Variational Monte Carlo scheme. In Chapter 6 exact diagonalization schemes and renormalization-based methods for one-dimensional systems are introduced. We identify key phenomenological traits resulting from the many-body correlation in closed systems driven sufficiently away from equilibrium.[31] We provide evidences that the dynamics of interacting lattice bosons away from equilibrium can be trapped into extremely long-lived inhomogeneous metastable states. The slowing down of incoherent density excitations above a threshold energy, much reminiscent of a dynamical arrest on the verge of a glass transition, is identified as the key feature of this phenomenon. In Chapter 7 we present an extension to dynamical properties of the Variational Quantum Monte Carlo method.[32] This is accomplished by introducing a general class of time-dependent variational states which is based on the mapping of the many-body dynamics onto an instantaneous ground-state problem. The application of the method to the experimentally relevant quantum quenches of interacting bosons reveals the accuracy and the reliability of the introduced numerical scheme. We indeed obtain for the first time a consistent variational description of the approach to the equilibrium of local observables and underline the origin of the metastability and glassy behavior previously identified. In the very last part we draw our conclusions and show some possible paths for stimulating future research.
We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the quantities of interest, for they play a central role in both the theoretical and experimental understanding of dynamic properties. In particular, dynamic correlation functions appear in the fluctuation-dissipation theorem, where the response of a many-body system to an external perturbation is given in terms of the relaxation function of the unperturbed system, provided the disturbance is small. The calculation of the relaxation function is rather difficult in most cases of interest, except for a few examples where exact analytic expressions are allowed. For most of systems of interest approximation schemes must be used. The method of recurrence relation has, at its foundation, the solution of Heisenberg equation of motion of an operator in a many-body interacting system. Insights have been gained from theorems that were discovered with that method. For instance, the absence of pure exponential behavior for the relaxation functions of any Hamiltonian system. The method of recurrence relations was used in quantum systems such as dense electron gas, transverse Ising model, Heisenberg model, XY model, Heisenberg model with Dzyaloshinskii-Moriya interactions, as well as classical harmonic oscillator chains. Effects of disorder were considered in some of those systems. In the cases where analytical solutions were not feasible, approximation schemes were used, but are highly model-dependent. Another important approach is the numericallly exact diagonalizaton method. It is used in finite-sized systems, which sometimes provides very reliable information of the dynamics at the infinite-size limit. In this work, we discuss the most relevant applications of the method of recurrence relations and numerical calculations based on exact diagonalizations. The method of recurrence relations relies on the solution to the coefficients of a continued fraction for the Laplace transformed relaxation function. The calculation of those coefficients becomes very involved and, only a few cases offer exact solution. We shall concentrate our efforts on the cases where extrapolation schemes must be used to obtain solutions for long times (or low frequency) regimes. We also cover numerical work based on the exact diagonalization of finite sized systems. The numerical work provides some thermodynamically exact results and identifies some difficulties intrinsic to the method of recurrence relations.
The thermodynamics of low-dimensional spin-12\frac{1}{2}21​ Heisenberg ferromagnets (HFMs) in an external magnetic field is investigated within a second-order two-time Green function formalism in the wide temperature and field ranges. A crucial point of the proposed scheme is a proper account of the analytical properties for the approximate transverse commutator Green function obtained as a result of the decoupling procedure. A good quantitative description of the correlation functions, magnetization, susceptibility, and heat capacity of the HFMs on a chain and square and triangular lattices is found for both infinite- and finite-sized systems. The dependences of the thermodynamic functions of two-dimensional HFMs on the cluster size are studied. The obtained results agree well with the corresponding data found by Bethe ansatz, exact diagonalization, high temperature series expansions, and quantum Monte Carlo simulations.