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arXiv:cond-mat/9306045 · Physical review. B, Condensed matter

Heisenberg models and a particular isotropic model

Arjan J. van der Sijs

Published Sep 1, 1993• 10 citations
arXivHTMLPDF

Abstract

The Heisenberg model, a quantum-mechanical analogue of the Ising model, has a large ground-state degeneracy, due to the symmetry generated by the total spin. This symmetry is also responsible for degeneracies in the rest of the spectrum. We discuss the global structure of the spectrum of Heisenberg models with arbitrary couplings, using group-theoretical methods. The Hilbert space breaks up in blocks characterized by the quantum numbers of the total spin, S and M, and each block is shown to constitute the representation space of an explicitly given irreducible representation of the symmetric group ${\mathit{S}}_{\mathit{N}}$, consisting of permutations of the N spins in the system. In the second part of the paper we consider, as a concrete application, the model where each spin is coupled to all the other spins with equal strength. Its partition function is written as a single integral, elucidating its N dependence. This provides a useful framework for studying finite-size effects. We give explicit results for the heat capacity, revealing interesting behavior just around the phase transition.

DOI
10.1103/physrevb.48.7125

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The Heisenberg model, a quantum-mechanical analogue of the Ising model, has a large ground-state degeneracy, due to the symmetry generated by the total spin. This symmetry is also responsible for degeneracies in the rest of the spectrum. We discuss the global structure of the spectrum of Heisenberg models with arbitrary couplings, using group-theoretical methods. The Hilbert space breaks up in blocks characterized by the quantum numbers of the total spin, S and M, and each block is shown to constitute the representation space of an explicitly given irreducible representation of the symmetric group SN{\mathit{S}}_{\mathit{N}}SN​, consisting of permutations of the N spins in the system. In the second part of the paper we consider, as a concrete application, the model where each spin is coupled to all the other spins with equal strength. Its partition function is written as a single integral, elucidating its N dependence. This provides a useful framework for studying finite-size effects. We give explicit results for the heat capacity, revealing interesting behavior just around the phase transition.
A general treatment of the symmetry for quantum spin systems is presented with the use of permutational operators. Symmetry operations which are commutable with a Hamiltonian form the symmetry group. Complete sets of spin functions which are specified by the total spin ( S tot ) are projected onto the irreducible representations of the symmetry group, using the character table. We show from symmetry consideration that a minimum dimension exists for the ground state of the Heisenberg Hamiltonian with finite N spins. The diagonalization of the Hamiltonian with the use of symmetry consideration can be effectively performed for the complete sets of S tot =0 by the method proposed in this paper. Numerical results of the ground state and all the excited states of S tot =0 are presented for spin systems up to N =20.
The statistical thermodynamics of the quantum spin- s XXZ Heisenberg model in the Weiss (mean-field) limit rests on the outer multiplicities of the irreducible representations in the Clebsch–Gordan decomposition of the n -fold spin- s tensor product, which determine the energy-level degeneracies and hence the partition function. Using known closed forms for these multiplicities in terms of generalized binomial coefficients of order 2 s + 1 , we write the exact finite-size partition function of the effective collective Hamiltonian and evaluate its thermodynamic limit by a large-deviation (Laplace) analysis validated against direct summations for systems of up to n = 10 4 spins. The free energy then follows from a two-parameter variational principle in the total spin and the magnetization per site. The ferromagnetic ordering is driven by the rotationally invariant part of the Hamiltonian, so that the Curie temperature T c = 1 3 J s ( s + 1 ) is independent of the anisotropy Δ, and the transition is of second order for every spin s , with classical mean-field exponents. The anisotropy reshapes the phase diagram: for Δ < 1 the field-driven first-order line of the isotropic ( Δ = 1 ) model opens into a dome of easy-plane ferromagnetic order, bounded by a continuous transition that restores the residual U(1) symmetry, and no first-order transitions or metastability occur throughout − 1 ≤ Δ < 1 ; the isotropic Curie-Weiss ferromagnet is recovered as Δ → 1. In two appendices we detail the asymptotics of the outer multiplicities down to the Gaussian-fluctuation prefactor and discuss the q -number and Jacobi-theta structures underlying the model, including the partial-theta-type structure that obstructs a standard theta-function reduction of the residual total-spin sum.
The one-dimensional spin-1/2 Heisenberg model with nearest-neighbour interaction coupled to Einstein phonons is of interest for the understanding of materials which show the spin-Peierls phase transition. I examined this model by performing a finite-temperature quantum Monte Carlo simulation by using the very efficient loop algorithm. I studied in detail the magnetic susceptibility, the specific heat, the phonon occupation, the dimerization, and the spin-spin correlation function of this model for various spin-phonon couplings and phonon frequencies. In particular I gave evidence for a global effective spin-spin coupling and for the transition from a gapless to the massive phase by studying the finite-size behavior of the magnetic susceptibility.
A real-space renormalization-group theory is proposed for the anisotropic Heisenberg chain which yields physically reasonable results for all values of the temperature and of the anisotropy. The method is based on a four-spin cluster and a transformation which preserves the sublattice structure of the antiferromagnet. At low temperatures the transformation maps the four lowest energy levels of the four-spin cluster onto the four levels of two spins, giving ground-state energies in excellent agreement with exact results. The specific-heat exponent for the isotropic antiferromagnet is given correctly, but the exponent for larger transverse coupling is somewhat too small. A scaling form is proposed for the free energy near the isotropic antiferromagnetic fixed point, and the crossover to Ising-like behavior is discussed.
The thermodynamics of the one-dimensional Heisenberg-Ising model for |Δ| ≪ 1 as well as of the X-Y-Z model is reduced to a set of non-linear integral equations under some plausible assumptions. It is remarkable that the number of unknown functions involved in them becomes finite when π/ cos -1Δ is a rational number for the Heisenberg-Ising model and when Kl /ζ is a rational number for the X-Y-Z model (where coupling constants Jx, Jy and Jz are parametrized by ζ, l, and Jz as Jx = Jz cn(2ζ, l) and Jy = Jz dn(2ζ, l); 1 ≥l ≥0, Kl ≥2ζ≥0 and Kl is the complete elliptic integral of the first kind of modulus l). The validity of our theory has been confirmed by the high-temperature expansion of the free energy through the second term for a general value of Δ and through the fourth them for Δ= ½.
In this paper we discuss the properties of the reduced density matrix of quantum many body systems with permutational symmetry and present basic quantification of the entanglement in terms of the von Neumann (VNE), Renyi and Tsallis entropies. In particular, we show, on the specific example of the spin 1/2 Heisenberg model, how the RDM acquires a block diagonal form with respect to the quantum number k fixing the polarization in the subsystem conservation of Sz and with respect to the irreducible representations of the Sn group. Analytical expression for the RDM elements and for the RDM spectrum are derived for states of arbitrary permutational symmetry and for arbitrary polarizations. The temperature dependence and scaling of the VNE across a finite temperature phase transition is discussed and the RDM moments and the Rényi and Tsallis entropies calculated both for symmetric ground states of the Heisenberg chain and for maximally mixed states.