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Physical review. B, Condensed matter

Role of domain walls in the ground-state properties of the spin-1/2XXZHamiltonian in the linear chain

G. Gómez-Santos

Published Apr 1, 1990• 30 citations
Publisher

Abstract

The XXZ spin-1/2 Hamiltonian in the linear chain is exactly transformed into a model where the local degrees of freedom are domain walls between opposite antiferromagnetic domains. The ground state of the new Hamiltonian is studied with the Hartree-Fock approximation. This approximation is shown to become exact in the XY and extreme antiferromagnetic limits, with excellent results in between. Known results concerning the existence or nonexistence of long-range order and gap in the excitation spectrum are reproduced by our solution. Good quantitative agreement with representative properties of the exact solution is obtained. The domain-wall Hamiltonian is shown to be the natural framework for the understanding of the ground state and low-lying excited states of the XXZ system in the antiferromagnetic regime.

DOI
10.1103/physrevb.41.6788

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The XXZ spin-1/2 Hamiltonian in the linear chain is exactly transformed into a model where the local degrees of freedom are domain walls between opposite antiferromagnetic domains. The ground state of the new Hamiltonian is studied with the Hartree-Fock approximation. This approximation is shown to become exact in the XY and extreme antiferromagnetic limits, with excellent results in between. Known results concerning the existence or nonexistence of long-range order and gap in the excitation spectrum are reproduced by our solution. Good quantitative agreement with representative properties of the exact solution is obtained. The domain-wall Hamiltonian is shown to be the natural framework for the understanding of the ground state and low-lying excited states of the XXZ system in the antiferromagnetic regime.
The linear chain XXZ spin- (1)/(2) Hamiltonian is mapped onto a model where the local degrees of freedom are domain walls between opposite antiferromagnetic domains. The domain-wall Hamiltonian is solved within the simplest Hartree–Fock approximation with results in very good agreement with the exact solution in the antiferromagnetic regime. The location of ordered and disordered (critical) phases is correct and low-lying excitations are well described and easily interpreted in terms of domain walls. Our domain-wall version of the original Hamiltonian is shown to provide the natural framework for a physical understanding of this system in the antiferromagnetic regime.
We study effects of a transverse magnetic field on the properties of the one-dimensional spin-1/2 Ising-like antiferromagnet. In order to emphasize the relevant role of domain walls between opposite antiferromagnetic domains, the spin Hamiltonian is exactly mapped to the interacting fermion Hamiltonian, via the dual transformation as well as the Jordan-Wigner transformation. Within the generalized Hartree-Fock approximation, we find that the excitation spectrum exhibits characteristic features, which are explained as a result of the different roles of the transverse field and of the transverse components of the exchange interactions in the propagation of the domain wall. At a critical field where the excitation gap vanishes, a ground-state phase transition is found to take place in the same manner as that in the transverse Ising model. In addition, we discuss the relevance of our magnetization curve with regard to experimental data in CsCoCl 3 .
The XXZ spin-1 chain is studied by means of a physically motivated variational approach. An effective Hamiltonian for the dynamics of spin-0 defects in antiferromagnetic environments (domain walls) is obtained, and its ground-state properties are analyzed. An order-disorder transition is found with critical behavior corresponding to the 2D Ising model universality class, in complete agreement with Haldane conjecture. The approximations involved in this variational scheme are carefully tested using known Monte Carlo results. In particular, excellent agreement with the recently calculated excited states at the Heisenberg (isotropic) point is found, clarifying the nature of these excitations.
A physically motivated approach is used to study the linear chain XXZ spin-1 Hamiltonian in the antiferromagnetic regime. A variational Hamiltonian is obtained restricting the basis set to states with local antiferromagnetic environments separated by sites with Sz=0 acting as domain walls. Ground-state properties of this variational Hamiltonian are obtained and, in particular, an order–disorder transition is found with critical behavior corresponding to the two-dimensional Ising model universality class, in agreement with Haldane conjecture. Excellent agreement with finite chain data concerning the position of Haldane’s point, ground-state energy, and elementary excitations is found.
Wave functions are calculated for the ground state and low-lying excited states of a linear antiferromagnetic chain of N spins S = 1/2 with alternate strong and weak exchange integrals, using the Fermi operator method (N is even). There are two degenerate ground states with alternating spin distributions, formed by taking a Hartree-Fock state vector composed of ‘alternant spin waves’ with different amplitudes on the two sub-lattices. The normal Hartree-Fock state is unstable and collapses into one or other alternating state. One of these is equivalent to the pseudo-spin ground state of Soos as well as the wave functions used by Ruijgrok and Rodriguez, and Oguchi. The other is derived by the time-reversal transformation or by a translation of the regular chain, and is asymptotically orthogonal to the first when N is large. New states are constructed which have the full translational symmetry of the Hamiltonian, and there is a doubling of the low-lying spectrum of states in which the excitation density is of order 1/N, as compared with Soos' theory. This affects the magnetic susceptibility since the higher states are not doubled and do not remain orthogonal.
The linear, spin-12\frac{1}{2}21​, alternating Heisenberg chain has attracted theoretical and experimental attention from physical chemists for about two decades, particularly in relation to spin exciton theory and the properties of linear, exchange-coupled free radicals. The model is somewhat unfamiliar to physicists but has become of increasing interest recently, primarily because of its relation to spin-Peierls transition systems. A striking feature of this model is that it has so far proved resistant to any form of analytic attack. Existing theories are therefore all approximate, and are not in agreement with one another. In particular, there is disagreement about the existence of an energy gap in the excitation spectrum for nonzero alternation, such a gap being crucial to spin-Peierls theory and spin exciton theory. In this paper we employ the method which has so far proved more reliable than any other approximate technique, namely the method of extrapolating exact finite-chain calculations to the thermodynamic limit. Our study is an extension of earlier work in this direction, and focuses on the nature of the ground state and on low-lying excitations in general, and the existence and properties of the gap in particular. We introduce the features of the linear alternating antiferromagnet through an initial description of the spin-Peierls transition and with brief reference to organic free radicals and spin exciton theory. This is followed by a survey of existing approximate theories. Features of the excitation spectrum are discussed and finite-chain extrapolations for the ground-state energy and energy gap as a function of alternation are presented. Comparisons are made with similar procedures performed on exactly solvable models, as a test of the expected accuracy of the extrapolations. Excitation spectra for a variety of other alternating models, classical and quantum, are calculated and surveyed comparatively. An unusual variety of behavior is observed, with striking differences between quantum and classical systems. Finally, a detailed comparison is made between our results and those of other approximate methods, including the new quantum renormalization-group approach. Particular attention is paid to values for the T=0T=0T=0 spin-Peierls critical exponents.