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Physical review. B, Condensed matter

Numeric and variational study of the anisotropic Heisenberg antiferromagnet interacting with a magnetic field

David Gottlieb, Maximiliano Montenegro, Miguel Lagos, K. Hallberg

Published Aug 1, 1992• 9 citations
Publisher

Abstract

We present a variational approach to the Heisenberg antiferromagnetic model for spin 1/2 and anisotropic exchange, with an external longitudinal and transverse magnetic field. In the one-dimensional case, we calculate exactly with our trial function the expectation values of energy, sublattice magnetization, and magnetic susceptibility. On minimizing the energy, we obtain several phases, which depend on the strength of the field and anisotropy parameter. Subsequently we approach the problem numerically and solve it for a chain of 12 spins using the Lanczos method. The two approaches are in excellent concordance, particularly for the critical fields of the transitions, over a wide range of the parameters of the model. Beside its precision and mathematical simplicity, the method has the important advantage of accounting for the different magnetic phases and their transitions with a single trial function that has a compact mathematical expression. The formalism is expected to work better in higher dimensions, but the corresponding calculations are omitted because of the lack of numerical field-dependent data with which to compare.

DOI
10.1103/physrevb.46.3427

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We present a variational approach to the Heisenberg antiferromagnetic model for spin 1/2 and anisotropic exchange, with an external longitudinal and transverse magnetic field. In the one-dimensional case, we calculate exactly with our trial function the expectation values of energy, sublattice magnetization, and magnetic susceptibility. On minimizing the energy, we obtain several phases, which depend on the strength of the field and anisotropy parameter. Subsequently we approach the problem numerically and solve it for a chain of 12 spins using the Lanczos method. The two approaches are in excellent concordance, particularly for the critical fields of the transitions, over a wide range of the parameters of the model. Beside its precision and mathematical simplicity, the method has the important advantage of accounting for the different magnetic phases and their transitions with a single trial function that has a compact mathematical expression. The formalism is expected to work better in higher dimensions, but the corresponding calculations are omitted because of the lack of numerical field-dependent data with which to compare.
In this work we study the Heisenberg XXZ antiferromagnetic model for spin S and dimension d in the presence of an external longitudinal magnetic field. First, we essay a variational approach which uses as trial function a version of the analytic expression for the ground state given by the paired nonmagnetic excitation (PNME) theory [M. Lagos and G. G. Cabrera, Solid State Commun. 67, 221 (1988); Phys. Rev. B 38, 659 (1988)], generalized in order to incorporate the external field. The ground-state energy, sublattice magnetization, and magnetic susceptibility are obtained. Subsequently, we solve the problem numerically for a chain of 12 spins (S=1 and S=3/2) using the Lancz\"os method [E. Dagotto and A. Moreo, Phys. Rev. D 31, 865 (1985)]. The two approaches give excellent concordance over a wide range of the parameters of the model. We show that our analytic trial function represents accurately the ground state of the system for anisotropies ranging from the Ising limit to the almost isotropic Heisenberg model for all values of the field. Moreover, it accounts for the several antiferromagnetic and ferromagnetic phases occurring for different values of the magnetic field with the same precision. The critical fields of the transitions are predicted correctly. Also, results for various spin values S in two and three dimensions are presented.
The antiferromagnetic Heisenberg chain with axial anisotropy and applied magnetic field parallel to the axis, is probed through a new variational approach based on the Bethe–Ansatz solution at zero field. The variational ket is built by rotating the spins in the Bethe solution, with the angles and the value of the local magnetic moment as variational parameters. This procedure allows for a description of the various magnetic phases in the presence of a parallel field, such as ferromagnetic (F), antiferromagnetic (AF), and spin-flop (SF) phases. The approximation reduces to the exact Bethe solution for vanishing field. We compare with exact numerical results (Lanczos calculations for finite systems), and exact solutions when available.
A variational approach based on Bogoliubov inequality for the free energy is employed in order to treat the quantum spin-1 anisotropic ferromagnetic Heisenberg model in the presence of a crystal field. Within the Bogoliubov scheme an improved pair approximation has been used. The temperature-dependent thermodynamic functions have been obtained and provide much better results than the previous simple mean-field scheme. In one dimension, which is still nonintegrable for quantum spin-1, we get the exact results in the classical limit, or near-exact results in the quantum case, for the free energy, magnetization, and quadrupole moment, as well for the transition temperature. In two and three dimensions the corresponding global phase diagrams have been obtained as a function of the parameters of the Hamiltonian. First-order transition lines, second-order transition lines, tricritical and tetracritical points, and critical endpoints have been located through the analysis of the minimum of the Helmholtz free energy and a Landau-like expansion in the approximated free energy. Only first-order quantum transitions have been found at zero temperature. Limiting cases, such as isotropic Heisenberg, Blume-Capel, and Ising models, have been analyzed and compared to previous results obtained from other analytical approaches as well as from Monte Carlo simulations.
A real space renormalization group method is applied to study the spin-1/2 two-dimensional anisotropic Heisenberg antiferromagnets. We carry out the calculation on a 5×5 cluster by using a variational approach. The ground-state energy per site is estimated as e0=−0.6845±0.0005 which is in good agreement with other numerical estimates. We also calculate the different ground state energies when anisotropy changes. By comparing with 3×3 cluster calculation the resulting threshold for long range order drops and the curve of the renormalization group parameter vs. anisotropy shows no hint of discontinuity over a wide range of anisotropic parameters. Hence, our calculation suggests that long-range order exists for the ground-state of the spin-1/2 Heisenberg antiferromagnets in two dimensions.
The antiferromagnetic spin-1/2 Heisenberg model, with axial anisotropy and applied magnetic field parallel to the axis, is solved numerically by Lanczos diagonalization of finite systems. We devise an extremely accurate method that allows for a reliable extrapolation to the infinite size limit. In the above limit, our results are compared with exact analytical solutions obtained through the Bethe ansatz. As an important example, we probe the behavior of the Critical Magnetic Field in the whole anisotropic region. We find indications that suggest the presence of two different regimes for the scaling of size effects as a function of the anisotropy.
We present a systematic study of the anisotropic spin-1/2 Heisenberg model in staggered magnetic fields in two dimensions. To mimic real materials, we consider a system of coupled, antiferromagnetic chains, whose interchain interaction can be either ferro- or antiferromagnetic. When the staggered field is commensurate with the magnetic interactions, an energy gap opens immediately and follows a power law as a function of the applied field, similar to the situation in one dimension. When the field competes with the interactions, a quantum phase transition (QPT) occurs from a gapless, magnetically ordered phase at low fields to a gapped, disordered regime. We use a continuous-time Monte Carlo method to compute the staggered moment of the ordered phases and the spin gap of the disordered phases. We deduce the phase diagrams as functions of the anisotropy ratio and the applied field, and calculate the scaling behavior of the models in both quantities. We show that in the competitive case, the staggered field acts to maintain a regime of quasi-1D behavior around the QPT, and we discuss as a consequence the nature of the crossover from one-dimensional (1D) to 2D physics.