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Physical review. B, Condensed matter

Ground state of the one-dimensional antiferromagnetic Heisenberg model

J. Borysowicz, T. A. Kaplan, Peter Horsch

Published Feb 1, 1985• 40 citations
Publisher

Abstract

We have calculated the two-point correlation functions ${\ensuremath{\omega}}_{\mathrm{il}}$(N)=(4/3)〈S${\ensuremath{\rightarrow}}_{i}$\ensuremath{\cdot}S${\ensuremath{\rightarrow}}_{i+l}$ 〉 and their averages over i,${\ensuremath{\omega}}_{l}$ (N), in the ground state of the one-dimensional antiferromagnetic Heisenberg model for N=4,6,8,...,16 spins. Both periodic (rings) and free-end (chains) boundary conditions are considered. Surprisingly tight lower and upper bounds have been obtained for ${\ensuremath{\omega}}_{l}$(\ensuremath{\infty}) under reasonable assumptions. In addition to showing the rather strong even-l--odd-l alternation in \ensuremath{\Vert}${\ensuremath{\omega}}_{l}$(N)\ensuremath{\Vert}, known from earlier results of Bonner and Fisher for rings with N up to 10, our bounds indicate a smooth behavior in l\ensuremath{\Vert}${\ensuremath{\omega}}_{l}$(\ensuremath{\infty})\ensuremath{\Vert} for l odd and l even, with, surprisingly, a broad maximum attained within the odd-l values. The bounds obtained from the chain results were essential to seeing this maximum (because of the larger l values available for given N). The quantity l\ensuremath{\Vert}${\ensuremath{\omega}}_{l}$(N)\ensuremath{\Vert} for chains with fixed N also shows such a maximum, and in addition shows a similar maximum for even l's. If the indicated trends for large l and N continue in ${\ensuremath{\omega}}_{l}$(\ensuremath{\infty}) and in ${S}_{N}$, the structure factor at wave vector \ensuremath{\pi}, then finite-size contributions to ${\ensuremath{\omega}}_{l}$(N) will have to contribute to the (seemingly) logarithmic divergence of ${S}_{N}$ as N\ensuremath{\rightarrow}\ensuremath{\infty}. We are not aware of any models where a similarly weak divergence shows such a finite-size contribution.

DOI
10.1103/physrevb.31.1590

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Ground state of the 1-dimensional antiferromagnetic Heisenberg model (abstract)

J. Borysowicz, T. A. Kaplan, Peter Horsch

We have calculated the 2-point correlation functions ωil(N)=(4/3)〈Si ⋅ Si+l〉 and their averages over i, ωl(N), in the ground state of the 1-dimensional antiferromagnetic Heisenberg model for N=4(2)16 spins. Both periodic (rings) and free-ends (chains) boundary conditions are considered. Surprisingly tight lower and upper bounds have been obtained for ωl(∞) under reasonable assumptions. In addition to showing the rather strong even-l-odd-l alternation in ‖ωl(N)‖, already known, our bounds indicate a smooth behavior in l‖ωl(∞)‖ for l odd and for l even, with, surprisingly, a broad maximum attained within the odd-l values at l≂6 to 8. The bounds obtained from the chain results were essential to seeing this maximum (because the l-values available for given N are larger than for rings). The quantity l‖ωl(N)‖ for chains with fixed N also shows such a maximum, and in addition shows a similar maximum for even l’s. If the trends for large l and N which we have found continue in ωl(∞) and in SN, the structure factor at wave vector π, then finite-size contributions to ωl(N) will have to contribute to the (seemingly) logarithmic divergence of SN as N→∞. We are not aware of any models where a similarly weak divergence shows such a finite-size contribution. Earlier results, including ‖ωl(∞)‖≊A/l for l→∞, gave no hint of the decrease in l‖ωl(∞)‖ described above. Recently ‘‘logarithmic corrections’’ have been mentioned, wherein ‖ωl(∞)‖≊(A/l) (ln l+B)−1. This might be related to the decrease in l‖ωl(∞)‖ which we found. If finite-size corrections are neglected, then this 1/l ln l behavior would predict SN≊ln ln N for N→∞, as opposed to the trend SN∼ln N that we found; continuation of the latter trend would then have to be due entirely to the finite-size contributions. Some insight into various surprising aspects of ωil(N) is gained by considering a single-band model of noninteracting electrons, which is a special case of the Hubbard model, as is the Heisenberg model.

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Comment on "Ground-state properties of a spin-1 antiferromagnetic chain"

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Botet and Jullien [Phys. Rev. B 27, 613 (1983)] have conducted a finite-chain scaling analysis on the spin-1 antiferromagnetic Heisenberg-Ising chain. They claim that the ground-state properties are completely different from the case of spin $\frac{1}{2}$. Using finite-size scaling techniques, they conclude that between the $\mathrm{XY}$ gapless phase and the doublet-ground-state N\'eel phase, a new phase appears in an extended anisotropy range. This phase, which encompasses the isotropic Heisenberg model, is characterized by a nonmagnetic singlet ground state and a nonzero excitation-energy gap. We perform a similar finite-chain scaling analysis on the spin-$\frac{1}{2}$ antiferromagnetic Heisenberg-Ising chain and obtain strikingly similar results. Since the spin-$\frac{1}{4}$ system is known rigorously not to exhibit the type of behavior proposed by Botet and Jullien, their analysis is open to doubt. The possibility arises that a strong singularity at the Heisenberg point for spin 1 (similar to the essential singularity for spin $\frac{1}{2}$) may be giving rise to misleading results. The $T=0$ phase behavior of the spin-1 Heisenberg-Ising antiferromagnetic chain, therefore, remains in question and specific additional numerical studies are proposed to clarify the matter.

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Critical exponent η in S =1 antiferromagnetic Heisenberg chains with alternating interaction

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Physical review. B, Condensed matter•Oct 1, 1995•19 citations
We have calculated the two-point correlation functions \ensuremathωil{\ensuremath{\omega}}_{\mathrm{il}}\ensuremathωil​(N)=(4/3)〈S\ensuremath→i{\ensuremath{\rightarrow}}_{i}\ensuremath→i​\ensuremath{\cdot}S\ensuremath→i+l{\ensuremath{\rightarrow}}_{i+l}\ensuremath→i+l​ 〉 and their averages over i,\ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​ (N), in the ground state of the one-dimensional antiferromagnetic Heisenberg model for N=4,6,8,...,16 spins. Both periodic (rings) and free-end (chains) boundary conditions are considered. Surprisingly tight lower and upper bounds have been obtained for \ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​(\ensuremath{\infty}) under reasonable assumptions. In addition to showing the rather strong even-l--odd-l alternation in \ensuremath{\Vert}\ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​(N)\ensuremath{\Vert}, known from earlier results of Bonner and Fisher for rings with N up to 10, our bounds indicate a smooth behavior in l\ensuremath{\Vert}\ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​(\ensuremath{\infty})\ensuremath{\Vert} for l odd and l even, with, surprisingly, a broad maximum attained within the odd-l values. The bounds obtained from the chain results were essential to seeing this maximum (because of the larger l values available for given N). The quantity l\ensuremath{\Vert}\ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​(N)\ensuremath{\Vert} for chains with fixed N also shows such a maximum, and in addition shows a similar maximum for even l's. If the indicated trends for large l and N continue in \ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​(\ensuremath{\infty}) and in SN{S}_{N}SN​, the structure factor at wave vector \ensuremath{\pi}, then finite-size contributions to \ensuremathωl{\ensuremath{\omega}}_{l}\ensuremathωl​(N) will have to contribute to the (seemingly) logarithmic divergence of SN{S}_{N}SN​ as N\ensuremath{\rightarrow}\ensuremath{\infty}. We are not aware of any models where a similarly weak divergence shows such a finite-size contribution.
We have calculated the 2-point correlation functions ωil(N)=(4/3)〈Si ⋅ Si+l〉 and their averages over i, ωl(N), in the ground state of the 1-dimensional antiferromagnetic Heisenberg model for N=4(2)16 spins. Both periodic (rings) and free-ends (chains) boundary conditions are considered. Surprisingly tight lower and upper bounds have been obtained for ωl(∞) under reasonable assumptions. In addition to showing the rather strong even-l-odd-l alternation in ‖ωl(N)‖, already known, our bounds indicate a smooth behavior in l‖ωl(∞)‖ for l odd and for l even, with, surprisingly, a broad maximum attained within the odd-l values at l≂6 to 8. The bounds obtained from the chain results were essential to seeing this maximum (because the l-values available for given N are larger than for rings). The quantity l‖ωl(N)‖ for chains with fixed N also shows such a maximum, and in addition shows a similar maximum for even l’s. If the trends for large l and N which we have found continue in ωl(∞) and in SN, the structure factor at wave vector π, then finite-size contributions to ωl(N) will have to contribute to the (seemingly) logarithmic divergence of SN as N→∞. We are not aware of any models where a similarly weak divergence shows such a finite-size contribution. Earlier results, including ‖ωl(∞)‖≊A/l for l→∞, gave no hint of the decrease in l‖ωl(∞)‖ described above. Recently ‘‘logarithmic corrections’’ have been mentioned, wherein ‖ωl(∞)‖≊(A/l) (ln l+B)−1. This might be related to the decrease in l‖ωl(∞)‖ which we found. If finite-size corrections are neglected, then this 1/l ln l behavior would predict SN≊ln ln N for N→∞, as opposed to the trend SN∼ln N that we found; continuation of the latter trend would then have to be due entirely to the finite-size contributions. Some insight into various surprising aspects of ωil(N) is gained by considering a single-band model of noninteracting electrons, which is a special case of the Hubbard model, as is the Heisenberg model.
We compute the ground-state spin-spin correlation function for the one-dimensional antiferromagnetic Heisenberg model of spin 1/2, 1, and 3/2. The spin-1 chain has a disordered ground state with a correlation length of 6.2 lattice spacings whereas the spin-1/2 and the spin-3/2 chains both have (ln(r)${)}^{\mathrm{\ensuremath{\sigma}}}$/r decaying correlation functions. The logarithmic corrections are different for the spin-1/2 and the spin-3/2 chains. Finite-size scaling is used to analyze the data for chains of up to 128 spins.
Botet and Jullien [Phys. Rev. B 27, 613 (1983)] have conducted a finite-chain scaling analysis on the spin-1 antiferromagnetic Heisenberg-Ising chain. They claim that the ground-state properties are completely different from the case of spin 12\frac{1}{2}21​. Using finite-size scaling techniques, they conclude that between the XY\mathrm{XY}XY gapless phase and the doublet-ground-state N\'eel phase, a new phase appears in an extended anisotropy range. This phase, which encompasses the isotropic Heisenberg model, is characterized by a nonmagnetic singlet ground state and a nonzero excitation-energy gap. We perform a similar finite-chain scaling analysis on the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg-Ising chain and obtain strikingly similar results. Since the spin-14\frac{1}{4}41​ system is known rigorously not to exhibit the type of behavior proposed by Botet and Jullien, their analysis is open to doubt. The possibility arises that a strong singularity at the Heisenberg point for spin 1 (similar to the essential singularity for spin 12\frac{1}{2}21​) may be giving rise to misleading results. The T=0T=0T=0 phase behavior of the spin-1 Heisenberg-Ising antiferromagnetic chain, therefore, remains in question and specific additional numerical studies are proposed to clarify the matter.
Low-temperature properties of S=1 antiferromagnetic Heisenberg chains with alternating interaction, scrH=Jtsumi{\mathit{Jtsum}}_{\mathit{i}}Jtsumi​[1-(-1)i{)}^{\mathit{i}})i\ensuremath{\delta}]Si{\mathrm{S}}_{\mathit{i}}Si​\ensuremath{\cdot}Si+1{\mathrm{S}}_{\mathit{i}+1}Si+1​, are studied by a quantum Monte Carlo method. Spatial distributions of the spin correlation function 〈S1z{\mathit{S}}_{1}^{\mathit{z}}S1z​Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 and the local magnetic moment 〈Siz{\mathit{S}}_{\mathit{i}}^{\mathit{z}}Siz​〉 are visualized as a function of \ensuremath{\delta}. The continuous phase transition at \ensuremath{\delta}=0.25, which was indicated by several authors, is confirmed by the \ensuremath{\delta} dependence of the low-lying level structure, the divergence of the correlation length, and also the collapse of the edge states. The critical exponent \ensuremath{\eta}, governing the power-law decay of the spin correlation function, is estimated to be 0.99\ifmmode\pm\else\textpm\fi{}0.05. The present result raises a possibility that the variety of quantum spin chains including not only the half-odd-integer-S ones but also the integer-S ones may be described in terms of the generic critical theory.