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Physics of the Solid State

Investigation of the magnetic properties of chains with alternating ferro-and antiferromagnetic exchange interactions in the Heisenberg model with spin S=1/2

Аплеснин Сергей Степанович, German A. Petrakovskii

Published Sep 1, 1999• 0 citations
Publisher

Abstract

The quantum Monte Carlo method is used to calculate the susceptibility and pairwise spin-spin correlation functions of chains with alternating ferro ( K )-and antiferromagnetic ( J )-exchange interactions within the Heisenberg model with spin S =1/2. From the susceptibility, the energy gap between the ground state and excited triplet states is determined or arbitrary ratios K/J . The value of the gap coincides with the Haldane gap for spin S =1 when K/J >1.25.

DOI
10.1134/1.1131042

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The quantum Monte Carlo method is used to calculate the susceptibility and pairwise spin-spin correlation functions of chains with alternating ferro ( K )-and antiferromagnetic ( J )-exchange interactions within the Heisenberg model with spin S =1/2. From the susceptibility, the energy gap between the ground state and excited triplet states is determined or arbitrary ratios K/J . The value of the gap coincides with the Haldane gap for spin S =1 when K/J >1.25.
We present a study of the spin-1/2 Heisenberg chain with alternating ferro- and antiferromagnetic exchange, focusing on the role of the exchange couplings to cover both, dimer and Haldane limit. Employing a complementary combination of perturbation theory and quantum Monte Carlo simulation, we report results for the magnetic susceptibility as well as the dynamic structure factor over a wide range of coupling constants and for different temperatures to extract the spin gap. For a small ferromagnetic coupling, we find good agreement between perturbation theory and quantum Monte Carlo. For arbitrary exchange couplings we show that the dynamic structure factor, obtained from quantum Monte Carlo, scales between triplons and a Haldane chain spectrum. Finally, we contrast our findings for the spin gap versus the exchange couplings against existing literature.
Thermodynamic properties of spin=1/2 two-leg ladders with alternating chains including ferromagnetic and antiferromagnetic interactions are discussed on the basis of the numerical results obtained by quantum Monte Carlo simulations. As well as the role of exchange interaction of rungs, the essential role of the bond alternation in the chain on ladder systems is investigated in connection with the appearance of characteristic properties in magnetic susceptibilities and heat capacities. Furthermore, quantum effects on the ground-state energy are obtained. On the basis of calculated results, the relationship between singlet dimer phases and Haldane states is discussed.
Properties of the ground state of open chains of the S=1 Heisenberg antiferromagnet are studied by a quantum Monte Carlo method. Size (length) dependences of the ground-state energy, the energy gap, the staggered magnetization 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 and the spin-correlation function 〈S1z{\mathit{S}}_{1}^{\mathit{z}}S1z​Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 are investigated under free, fixed, and periodic boundary conditions. The size dependences are significant in chains with less than 25 spins, where the magnitude of the staggered magnetization is rather large. However, the fourfold degeneracy of the ground state and the exponential decay of correlations that are inherent to the Haldane system are recovered when the chain length becomes long enough. Both the staggered magnetization and the spin-correlation function decay exponentially. The correlation length is about six in lattice spacing, which agrees with the value obtained in the bulk.
We study the one-dimensional Heisenberg spin-1∕21∕21∕2 alternating bond chain in which the nearest neighbor exchange couplings are ferromagnetic (FM) and antiferromagnetic (AF) alternatively. By using exact diagonalization and the density matrix renormalization group method, we discuss how the system approaches the AF uniform spin-1 chain under certain conditions. When the ratio of AF to FM coupling strengths, $\ensuremath{\alpha}$ $(\ensuremath{\alpha}={J}_{AF}∕{J}_{F})$, is very small, physical properties of the alternating bond chain such as spin-spin correlation, the string correlation function, and the spin density coincide with those of the AF uniform spin-1 chain. The edge state problem is discussed in the present model with the small $\ensuremath{\alpha}$ limit. In addition, the Haldane gap of the AF uniform spin-1 chain is four times the gap of the system considered.
The ground-state properties of the spin-1/2 Heisenberg chain, which has two exchange couplings (J>J') alternatingly, are studied. This model interpolates the spin-1 antiferromagnetic Heisenberg chain (AFHC) (J'\ensuremath{\rightarrow}-\ensuremath{\infty}, J>0), the dimerized spin-1/2 AFHC (J'\ensuremath{\simeq}J>0), and the uniform spin-1/2 AFHC (J'=J>0) continuously. The string order introduced by den Nijs--Rommelse and Tasaki changes continuously through the Haldane phase and the dimer phase to vanish at J=J'. It is at a maximum for J'=0. This implies that the string order is related to the local singlet correlation in terms of the spin-1/2 model. The lowest excitation can be regarded as the renormalized triplet wave. The reversal of the anisotropy effect on the excitation spectrum of the spin-1 AFHC is also explained in a intuitive way based on this picture.