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Physical review. B, Condensed matter

Monte Carlo study of the spin-1 antiferromagnetic chain with both bilinear and biquadratic exchange interactions

M. Uchinami

Published Mar 1, 1989• 7 citations
Publisher

Abstract

A Monte Carlo simulation study based on the heat-bath algorithm on a checkerboard arrangement is applied to the spin-1 antiferromagnetic chain model with both bilinear and biquadratic exchange interactions. Changing the parameter \ensuremath{\lambda} which denotes strength of the biquadratic interaction against the bilinear one from -1.0 to 2.0, we obtain the following results according to the measurements of energy and two-point correlation function. At \ensuremath{\lambda}=1 and -(1/3 where some physical quantities are derived rigorously, our Monte Carlo simulation results agree well with the rigorous ones. For ${\ensuremath{\lambda}}_{c}$\ensuremath{\le}\ensuremath{\lambda}\ensuremath{\le}${\ensuremath{\lambda}}_{1}$ with taking 0.25\ensuremath{\le}${\ensuremath{\lambda}}_{c}$\ensuremath{\le}0.5 and ${\ensuremath{\lambda}}_{1}$\ensuremath{\ge}2.0, its model has the gapless ground state accompanied by a power-law decaying correlation function. This implies the existence of a critical line. For -1.0${\ensuremath{\lambda}}_{c}$, on the other hand, its model has the ground state with energy gap accompanied with exponentially decaying correlation function. This indicates that the valence-bond-solid (VBS) state asserted by Affleck et al. is stabilized there. As the point of \ensuremath{\lambda}=0 comes to the standard Heisenberg antiferromagnetic model and is in the region of -1.0${\ensuremath{\lambda}}_{c}$, the Haldane's conjecture is supported that this ground state is described by the VBS state for the case of integer spin, e.g., S=1.

DOI
10.1103/physrevb.39.4554

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A Monte Carlo simulation study based on the heat-bath algorithm on a checkerboard arrangement is applied to the spin-1 antiferromagnetic chain model with both bilinear and biquadratic exchange interactions. Changing the parameter \ensuremath{\lambda} which denotes strength of the biquadratic interaction against the bilinear one from -1.0 to 2.0, we obtain the following results according to the measurements of energy and two-point correlation function. At \ensuremath{\lambda}=1 and -(1/3 where some physical quantities are derived rigorously, our Monte Carlo simulation results agree well with the rigorous ones. For \ensuremathλc{\ensuremath{\lambda}}_{c}\ensuremathλc​\ensuremath{\le}\ensuremath{\lambda}\ensuremath{\le}\ensuremathλ1{\ensuremath{\lambda}}_{1}\ensuremathλ1​ with taking 0.25\ensuremath{\le}\ensuremathλc{\ensuremath{\lambda}}_{c}\ensuremathλc​\ensuremath{\le}0.5 and \ensuremathλ1{\ensuremath{\lambda}}_{1}\ensuremathλ1​\ensuremath{\ge}2.0, its model has the gapless ground state accompanied by a power-law decaying correlation function. This implies the existence of a critical line. For -1.0\ensuremathλc{\ensuremath{\lambda}}_{c}\ensuremathλc​, on the other hand, its model has the ground state with energy gap accompanied with exponentially decaying correlation function. This indicates that the valence-bond-solid (VBS) state asserted by Affleck et al. is stabilized there. As the point of \ensuremath{\lambda}=0 comes to the standard Heisenberg antiferromagnetic model and is in the region of -1.0\ensuremathλc{\ensuremath{\lambda}}_{c}\ensuremathλc​, the Haldane's conjecture is supported that this ground state is described by the VBS state for the case of integer spin, e.g., S=1.
We have studied the Spin 1 antiferromagnetic chain with both bilinear and biquadratic exchange interactions. The spin correlations have been calculated by means of the transfer matrix method based on the Trotter formula. The mass gap ( m (0)) at the ground state has been investigated as a function of the ratio λ between bilinear and biquadratic interactions. The result suggests that the gapless ground state persists in a finite range of λ, i.e., λ c < λ< λ 1 , with λ c = 0.5 and λ 1 > 1 which is consistent with the exact solution at the completely integrable point (λ= 1). The calculated mass gap ( m (0)) has been fitted to a Kosterlitz-Thouless (KT)-type for λ< λ c ( m (0)= A exp [- B /(λ c - λ) σ ]) producing the results σ= 0.49±0.04 and λ c =0.49±0.03.
An efficient valence-bond technique is introduced for the numerical study of singlet states of spin-1 antiferromagnetic chains and is applied to the general bilinear-biquadratic Hamiltonian. The results support the hypothesis that the gap first vanishes, with increasing biquadratic exchange, at the Bethe ansatz integrable point, which separates regular and dimerised regimes. The authors distinguish between real gaps and the mixing of degenerate ground states due to quantum tunnelling in small systems.
Using a loop–cluster algorithm we investigate the spin- Heisenberg antiferromagnet on a square lattice with exchange coupling J and an additional four-spin interaction of strength Q . We confirm the existence of a phase transition separating antiferromagnetism at J / Q > J c / Q from a valence bond solid (VBS) state at J / Q < J c / Q . Although our Monte Carlo data are consistent with those of previous studies, we do not confirm the existence of a deconfined quantum critical point. Instead, using a flowgram method on lattices as large as 80 2 , we find evidence for a weak first-order phase transition. We also present a detailed study of the antiferromagnetic phase. For J / Q > J c / Q the staggered magnetization, the spin stiffness and the spinwave velocity of the antiferromagnet are determined by fitting Monte Carlo data to analytic results from the systematic low-energy effective field theory for magnons. Finally, we also investigate the physics of the VBS state at J / Q < J c / Q and we show that long but finite antiferromagnetic correlations are still present.
Results of a numerical experiment on one-dimensional quantum spin chains are reported. The Heisenberg model with a nearest-neighbor interaction is investigated for spins 1/2\ensuremath{\le}S\ensuremath{\le}2. The procedure of measurement in the conventional checkerboard world-line algorithm is modified to give lower systematic errors. In addition to spatial-correlation properties, the magnon spectral density is extracted from the magnon Green function via the fast maximum-entropy algorithm. In particular, the existence of the Haldane gap in S=1 and S=2 cases is explicitly demonstrated. Hidden antiferromagnetic order peculiar to the Haldane phase is measured for S=1 as a function of one-site anisotropy. The mapping onto the restricted solid-on-solid model is analyzed. The difference between systems with even and odd integer spins is discussed.
Using the world-line quantum Monte Carlo method, we calculate the spin 〈SRz{\mathit{S}}_{\mathit{R}}^{\mathit{z}}SRz​S0z{\mathit{S}}_{0}^{\mathit{z}}S0z​〉 and dimer 〈(S0{\mathbf{S}}_{0}S0​\ensuremath{\cdot}S1{\mathbf{S}}_{1}S1​)(SR{\mathbf{S}}_{\mathit{R}}SR​\ensuremath{\cdot}SR+1{\mathbf{S}}_{\mathit{R}+1}SR+1​)〉 correlation functions for the S=1 biquadratic Heisenberg antiferromagnetic chain. These results show the relevance of the Affleck-Kennedy-Lieb-Tasaki state for describing the nonclassical behavior of the S=1 antiferromagnetic Heisenberg model. We also include results for S=3/2 and 2, which show the inhibition of staggered dimerization as the classical limit (S\ensuremath{\rightarrow}\ensuremath{\infty}) is approached, where N\'eel order is favored.
We study quantum mixed-spin chains consisting of two integer spins S1{S}^{1}S1 and two half integer spins S2{S}^{2}S2 arrayed as ${S}^{1}\ensuremath{-}{S}^{1}\ensuremath{-}{S}^{2}\ensuremath{-}{S}^{2}$ in a unit cell with antiferromagnetic nearest-neighbor couplings J1{J}_{1}J1​ (J2){(J}_{2})(J2​) between the spins of equal (different) magnitudes. By varying the ratio of two competing couplings, $\ensuremath{\alpha}{=J}_{2}{/J}_{1},$ the systems undergo successive quantum phase transitions between different valence-bond-solid (VBS) states accompanied by the vanishing of the energy gap. By a quantum Monte Carlo simulation with an improved loop cluster algorithm, we find one critical point ${\ensuremath{\alpha}}_{c}=0.762(1)$ in a $1\ensuremath{-}1\ensuremath{-}\frac{1}{2}\ensuremath{-}\frac{1}{2}$ chain and two critical points ${\ensuremath{\alpha}}_{c1}=0.479(1)$ and ${\ensuremath{\alpha}}_{c2}=1.318(1)$ in a $1\ensuremath{-}1\ensuremath{-}\frac{3}{2}\ensuremath{-}\frac{3}{2}$ chain, respectively. The calculated expectation values of the Lieb-Shultz-Mattis twist operator show the characteristic features of the single VBS transition in the $1\ensuremath{-}1\ensuremath{-}\frac{1}{2}\ensuremath{-}\frac{1}{2}$ chain and two successive VBS transitions in the $1\ensuremath{-}1\ensuremath{-}\frac{3}{2}\ensuremath{-}\frac{3}{2}$ chain at these critical points.