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Physical review. B, Condensed matter

Influence of third-nearest-neighbor interactions on the ground state of Heisenberg linear chains

Jorge M. Mesías, Eugenio Emilio Vogel

Published Dec 1, 1986• 1 citation
Publisher

Abstract

Antiferromagnetic ground-state energies for infinite Heisenberg linear chains with up to third-nearest-neighbor interactions have been determined by means of numerical extrapolations. On the other hand, new conditions to produce a ferromagnetic ground state have been established for finite chains. These conditions are expressed as lower bounds for the coupling constants. The particular case in which the coupling constant for third-nearest-neighbor interactions is zero is compared in two different ways with previous calculations by other authors, showing good correspondence.

DOI
10.1103/physrevb.34.8015

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Antiferromagnetic ground-state energies for infinite Heisenberg linear chains with up to third-nearest-neighbor interactions have been determined by means of numerical extrapolations. On the other hand, new conditions to produce a ferromagnetic ground state have been established for finite chains. These conditions are expressed as lower bounds for the coupling constants. The particular case in which the coupling constant for third-nearest-neighbor interactions is zero is compared in two different ways with previous calculations by other authors, showing good correspondence.
The author calculates lower bounds for the ground state energy of the linear antiferromagnetic Heisenberg chain with nearest- and next-nearest-neighbour interactions. From these lower bounds new upper bounds are derived. Several approximations of the ground state energy given in the literature are compared with these upper and lower bounds. It is found that the best approximation is given by extrapolation from finite cyclic chains. This extrapolation, however, is restricted to certain values of the relative strength of the interactions. Here he extrapolates the ground state energy from finite open chains where no such restriction occurs.
Ground-state properties of the Hamiltonian H=12J ∑ i=1N σi·σi+1 + 12Jα ∑ i=1N σi·σi+2(σN+1 ≡ σ1, σN+2 ≡ σ2) are studied for both signs of J and −1 ≤ α ≤ 1 to gain insight into the stability of the ground state with nearest-neighbor interactions only (α = 0) in the presence of the next-nearest-neighbor interaction. Short chains of up to 8 particles have been exactly studied. For J > 0, the ground state for even N belongs always to spin zero, but its symmetry changes for certain values of α. For J < 0, the ground state belongs either to the highest spin (ferromagnetic state) or to the lowest spin and so to zero for even N. The trend of the results suggests that these facts are true for arbitrary N and that the critical value of α is probably zero. Upper and lower bounds to the ground-state energy per spin of the above Hamiltonian are obtained. Such bounds can also be obtained for the square lattice with the nearest- as well as the next-nearest-neighbor interaction.
We study the ground-state and finite-temperature properties of the one-dimensional isotropic spin-1/2 Heisenberg magnet with ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor interactions which compete with each other. Extrapolating the exact results for finite-size systems of up to 20 spins, we estimate the ground-state energy and the ground-state two-spin correlation function in the infinite-size limit. Using the cluster transfer matrix method, we also calculate the temperature dependence of the internal energy and the specific heat and that of the inverse correlation length and the wave number, by both of which the asymptotic behavior of the two-spin correlation function in the long-distance limit is characterized. We compare the results of these calculations with those obtained previously for the case where the nearest-neighbor interaction is antiferromagnetic.
The distribution of 'unbound' states in the Bethe formalism for the linear chain of spin 1/2 atoms with a Heisenbert exchange interaction between nearest neighbors is investigated in the vicinity of the antiferromagnetic ground state, utilizing the spin wave states discovered by des Cloizeaux and Pearson. An upper bound is obtained for the free energy of the anti ferromagnetic chain at very low temperatures. Plausible arguments are presented to show that the 'unbound' states actually make a negligible contribution to the partition function of an infinite chain, at least in the absence of a magnetic field.
The ground state of chains with antiferromagnetic XY interactions is examined by direct diagonalisation of the Hamiltonian. Attention is focussed on chains with nearest and next-nearest neighbour interactions. It is found that results for finite chains can be readily extrapolated to infinite chains. The dimerised ground state corresponds to a maximum in the energy per spin with respect to the next-nearest neighbour interaction parameter. An alternate normalisation scheme provides additional insight into how the ground state energy depends on the interaction parameters.
Ground-state properties are studied for the one-dimensional anisotropic spin-1/2 Heisenberg magnet with ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor interactions, which are assumed to have the same form as regards the anisotropy. The singlet-triplet energy gap, the magnetization, the energy, and the two-spin correlation function in the ground states of finite-size systems of up to 20 spins are calculated exactly. By extrapolating these results, the values of the above quantities at the infinite-size limit are estimated. Special attention is paid to the limiting ground-state phase diagram on the plane of the ratio of the next-nearest-neighbor interaction constant to the nearest-neighbor one versus the anisotropy parameter. It is found that, when the interactions have the XY-type anisotropy, the limiting ground state is in the spin-fiuid phase or in the dimer phase depending upon whether the ratio between the interaction constants is smaller or larger than a critical value. It is also found that, when the interactions have the Ising-type anisotropy, a novel phase with unsaturated magnetization appears between the ferromagnetic and (2, 2) antiphase phases in the limiting ground-state phase diagram.