Physical Review Letters

Long-range correlations in the two-dimensional spin-(1/2 antiferromagnetic Heisenberg model: A quantum Monte Carlo study

Efstratios Manousakis, Román Salvador

Published Feb 29, 1988• 75 citations

Abstract

Using an extended version of Handscomb's Monte Carlo method we study the spin-(1/2 quantum antiferromagnetic Heisenberg model on square lattices of various sizes. The calculated correlation length associated with antiferromagnetic order grows very rapidly as the temperature is lowered suggesting an essential singularity. Our results are consistent with those recently observed by neutron scattering done on ${\mathrm{Lo}}_{2}$${\mathrm{CuO}}_{4}$.

DOI: 10.1103/physrevlett.60.840

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Physical Review Letters

Long-range correlations in the two-dimensional spin-(1/2 antiferromagnetic Heisenberg model: A quantum Monte Carlo study

Efstratios Manousakis, Román Salvador

Published Feb 29, 1988• 75 citations

Publisher

Abstract

{\mathrm{Lo}}_{2}$${\mathrm{CuO}}_{4}

DOI: 10.1103/physrevlett.60.840

Related papers

Quantum Monte Carlo study of a Heisenberg spin system in two dimensions with long-range interactions

Oleg N. Vassiliev, Michael G Cottam, I. V. Rojdestvenski

The thermodynamic properties and critical behavior of a Heisenberg ferromagnet in two dimensions are studied using the Handscomb quantum Monte Carlo method. The spins (with quantum number S=12) are arranged on a square lattice and have a long-range interaction with a power-law decrease, J(r)∝r−p, with distance r. The parameter p is taken to be in the range 2<p⩽6. The system has an ordering transition at a nonzero temperature Tc when 2<p<4. The dependence of Tc on p and the critical behavior of the susceptibility are investigated. Properties of spin correlation functions in different regimes (of p and T) are discussed. The results are compared with previous approximate analytic quantum theories.The thermodynamic properties and critical behavior of a Heisenberg ferromagnet in two dimensions are studied using the Handscomb quantum Monte Carlo method. The spins (with quantum number S=12) are arranged on a square lattice and have a long-range interaction with a power-law decrease, J(r)∝r−p, with distance r. The parameter p is taken to be in the range 2<p⩽6. The system has an ordering transition at a nonzero temperature Tc when 2<p<4. The dependence of Tc on p and the critical behavior of the susceptibility are investigated. Properties of spin correlation functions in different regimes (of p and T) are discussed. The results are compared with previous approximate analytic quantum theories.

Journal of Applied PhysicsJun 1, 20015 citations

Monte Carlo studies of two dimensional quantum spin systems

M. S. Makivić

Spin-1/2 nearest neighbor Heisenberg antiferromagnet and XY model on a square lattice are studied via large scale quantum Monte Carlo simulations using a fast and efficient multispin coding algorithm on the Caltech/JPL MarkIIIfp parallel supercomputer, based on the Suzuki-Trotter transformation. We performed simulations with very good statistics on lattices as large as 128x128 spins, in the temperature range from 0.1 to 2.5 in units of the effective exchange coupling J. We calculated energy, specific heat, magnetic susceptibilities and also spin correlation functions from which we deduce the correlation lengths. For the Heisenberg model, at temperatures higher than J the results are in excellent agreement with high-temperature series expansion. At low temperatures the long wavelength behavior is essentially classical. Our data show that the correlation length and staggered susceptibility are quantitatively well described by the renormalized classical picture at the 2-loop level of approximation. From the divergence of the correlation length, we deduce the value of the quantum renormalized spin stiffness, [rho][subscript s]/J = 0.199(2). We give evidence that the correlation function is of the Ornstein-Zernicke type. By comparing the largest measured correlation lengths with neutron scattering experiments on La2CuO4, we deduce the value of effective exchange coupling J = 1450±30 K. By measuring the imaginary time-dependent correlation functions, we show that the dynamics of the model can be well understood within a Bose liquid-type picture. The spin waves are rather sharp throughout most of the Brillouin zone and the damping is weakly dependent on the wave vector. In the case of the XY model, convincing numerical evidence is obtained on square lattices as large as 96x96 that the spin-1/2 XY model undergoes a Kosterlitz-Thouless (KT) phase transition at kTc/J = 0.350(4). The correlation length and in-plane susceptibility diverge at Tc precisely according to the form predicted by Kosterlitz and Thouless for the classical XY model. The specific heat increases very rapidly on heating near Tc and exhibits a peak around kT/J = 0.45. We also measure the spin stiffness and the correlation function exponent below the transition temperature. Within the statistical accuracy of the measurements, the results are well described by the square root singularity (with a nonuniversal amplitude) below Tc, and they have the universal values in agreement with KT theory at Tc.Spin-1/2 nearest neighbor Heisenberg antiferromagnet and XY model on a square lattice are studied via large scale quantum Monte Carlo simulations using a fast and efficient multispin coding algorithm on the Caltech/JPL MarkIIIfp parallel supercomputer, based on the Suzuki-Trotter transformation. We performed simulations with very good statistics on lattices as large as 128x128 spins, in the temperature range from 0.1 to 2.5 in units of the effective exchange coupling J. We calculated energy, specific heat, magnetic susceptibilities and also spin correlation functions from which we deduce the correlation lengths. For the Heisenberg model, at temperatures higher than J the results are in excellent agreement with high-temperature series expansion. At low temperatures the long wavelength behavior is essentially classical. Our data show that the correlation length and staggered susceptibility are quantitatively well described by the renormalized classical picture at the 2-loop level of approximation. From the divergence of the correlation length, we deduce the value of the quantum renormalized spin stiffness, [rho][subscript s]/J = 0.199(2). We give evidence that the correlation function is of the Ornstein-Zernicke type. By comparing the largest measured correlation lengths with neutron scattering experiments on La2CuO4, we deduce the value of effective exchange coupling J = 1450±30 K. By measuring the imaginary time-dependent correlation functions, we show that the dynamics of the model can be well understood within a Bose liquid-type picture. The spin waves are rather sharp throughout most of the Brillouin zone and the damping is weakly dependent on the wave vector. In the case of the XY model, convincing numerical evidence is obtained on square lattices as large as 96x96 that the spin-1/2 XY model undergoes a Kosterlitz-Thouless (KT) phase transition at kTc/J = 0.350(4). The correlation length and in-plane susceptibility diverge at Tc precisely according to the form predicted by Kosterlitz and Thouless for the classical XY model. The specific heat increases very rapidly on heating near Tc and exhibits a peak around kT/J = 0.45. We also measure the spin stiffness and the correlation function exponent below the transition temperature. Within the statistical accuracy of the measurements, the results are well described by the square root singularity (with a nonuniversal amplitude) below Tc, and they have the universal values in agreement with KT theory at Tc.

Jul 20, 20070 citations

Quantum Monte Carlo simulation method for spin systems

Anders W. Sandvik, J. Kurkijärvi

A quantum Monte Carlo simulation scheme for spin systems is presented. The method is a generalization of Handscomb's method but applicable to any length of the spin, i.e., when the spin traces cannot be evaluated analytically. The Monte Carlo sampling is extended to the space of spin vectors in addition to the usual operator-index sequences. An important technical point is that the index sequences are augmented with the aid of unit operators to a constant, self-consistently determined length. The scheme is applied to the one-dimensional antiferromagnetic spin-S Heisenberg model. Results at low temperatures are reported for S=1 and S=3/2 and system sizes up to N=64. The computed magnetic structure factor in the S=1 chain is in agreement with earlier ground-state calculations. For S=3/2 we find the exponent \ensuremath{\gamma}\ifmmode\bar\else\textasciimacron\fi{}=0.49\ifmmode\pm\else\textpm\fi{}0.04 for the divergence of the antiferromagnetic structure factor. Further, the susceptibility as a function of the wave number is computed. For S=1 the staggered susceptibility \ensuremath{\chi}(\ensuremath{\pi}) at T=0 is found to take the value 20.0\ifmmode\pm\else\textpm\fi{}1.5 in units such that \ensuremath{\chi}(q)\ensuremath{\rightarrow}${\mathit{T}}^{\mathrm{\ensuremath{-}}1}$ at high temperatures (with the temperature scale defined by ${\mathit{k}}_{\mathit{B}}$ =1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.A quantum Monte Carlo simulation scheme for spin systems is presented. The method is a generalization of Handscomb's method but applicable to any length of the spin, i.e., when the spin traces cannot be evaluated analytically. The Monte Carlo sampling is extended to the space of spin vectors in addition to the usual operator-index sequences. An important technical point is that the index sequences are augmented with the aid of unit operators to a constant, self-consistently determined length. The scheme is applied to the one-dimensional antiferromagnetic spin-S Heisenberg model. Results at low temperatures are reported for S=1 and S=3/2 and system sizes up to N=64. The computed magnetic structure factor in the S=1 chain is in agreement with earlier ground-state calculations. For S=3/2 we find the exponent \ensuremath{\gamma}\ifmmode\bar\else\textasciimacron\fi{}=0.49\ifmmode\pm\else\textpm\fi{}0.04 for the divergence of the antiferromagnetic structure factor. Further, the susceptibility as a function of the wave number is computed. For S=1 the staggered susceptibility \ensuremath{\chi}(\ensuremath{\pi}) at T=0 is found to take the value 20.0\ifmmode\pm\else\textpm\fi{}1.5 in units such that \ensuremath{\chi}(q)\ensuremath{\rightarrow}${\mathit{T}}^{\mathrm{\ensuremath{-}}1}$ at high temperatures (with the temperature scale defined by ${\mathit{k}}_{\mathit{B}}$=1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.

Physical review. B, Condensed matterMar 1, 1991528 citations

Temperature Dependent Correlation Length for the S=1/2 Quantum Heisenberg Antiferromagnet on the Square Lattice

Jae-Kwon Kim, D. P. Landau, Matthias Troyer

We present an analysis of high precision Monte Carlo data for the two dimensional S=1/2 quantum Heisenberg antiferromagnet up to $ξ= 95.7(3)$ obtained by the continuous time version of the loop algorithm. Our data are in good agreement with a prediction of the recent theory (Phys. Rev. Lett. vol. 77, 3439 (1996)) in very high temperature regime, but they strongly disagree with it in the low temperature regime.We present an analysis of high precision Monte Carlo data for the two dimensional S=1/2 quantum Heisenberg antiferromagnet up to $ξ= 95.7(3)$ obtained by the continuous time version of the loop algorithm. Our data are in good agreement with a prediction of the recent theory (Phys. Rev. Lett. vol. 77, 3439 (1996)) in very high temperature regime, but they strongly disagree with it in the low temperature regime.

arXiv:cond-mat/9702138Physical Review LettersAug 25, 199717 citations

Quantum Phase Transition of Two-Dimensional Diluted Heisenberg Antiferromagnet

Synge Todo, Chitoshi Yasuda, Kiyoshi Katō +4 more

Quantum phase transition of site-diluted and bond-diluted Heisenberg antiferromagnets on square lattices is studied. By using the novel continuous-time loop algorithm, we perform quantum Monte Carlo simulations on quite larger lattices at extremely lower temperatures than the previous numerical studies. It is found that the antiferromagnetic long-range order at T = 0 persists so long as a cluster of magnetic sites percolates, that is, the critical concentration is equal to the classical percolation threshold, in both of the site-diluted and bond-diluted cases. Furthermore, we find that some critical exponents, such as the magnetization exponent β, are non-classical and strongly depend on the spin size S. On the other hand, we show that the correlation-length exponent ν is universal and is equal to the classical value (ν=4/3).Quantum phase transition of site-diluted and bond-diluted Heisenberg antiferromagnets on square lattices is studied. By using the novel continuous-time loop algorithm, we perform quantum Monte Carlo simulations on quite larger lattices at extremely lower temperatures than the previous numerical studies. It is found that the antiferromagnetic long-range order at T = 0 persists so long as a cluster of magnetic sites percolates, that is, the critical concentration is equal to the classical percolation threshold, in both of the site-diluted and bond-diluted cases. Furthermore, we find that some critical exponents, such as the magnetization exponent β, are non-classical and strongly depend on the spin size S. On the other hand, we show that the correlation-length exponent ν is universal and is equal to the classical value (ν=4/3).

Progress of Theoretical Physics SupplementJan 1, 20002 citations

Quantum Monte Carlo study of the spin-1/2 Heisenberg model

Y.-C. Chen, H. H. Chen, Felix Lee

Thermodynamic properties of the spin-1/2 Heisenberg ferromagnet are calculated by using Handscomb's Monte Carlo method. Several methods of analyses are used to determine critical properties of the model. For a square lattice we find that the susceptibility diverges exponentially at zero temperature. That is, \ensuremath{\chi}\ensuremath{\sim}exp[b(J/ ${\mathit{k}}_{\mathit{B}}$ T)] with the constant b=4.5\ifmmode\pm\else\textpm\fi{}0.5, which is lower than the prediction (b=2\ensuremath{\pi}) of a modified spin-wave theory. For the simple-cubic lattice, we find that the critical temperature ${\mathit{k}}_{\mathit{B}}$ ${\mathit{T}}_{\mathit{c}}$ /J=1.68\ifmmode\pm\else\textpm\fi{}0.01, and the ratio of the exponents \ensuremath{\gamma}/\ensuremath{\nu}=2.0\ifmmode\pm\else\textpm\fi{}0.05, which are in good agreement with the estimates of the high-temperature series-expansion method.Thermodynamic properties of the spin-1/2 Heisenberg ferromagnet are calculated by using Handscomb's Monte Carlo method. Several methods of analyses are used to determine critical properties of the model. For a square lattice we find that the susceptibility diverges exponentially at zero temperature. That is, \ensuremath{\chi}\ensuremath{\sim}exp[b(J/${\mathit{k}}_{\mathit{B}}$T)] with the constant b=4.5\ifmmode\pm\else\textpm\fi{}0.5, which is lower than the prediction (b=2\ensuremath{\pi}) of a modified spin-wave theory. For the simple-cubic lattice, we find that the critical temperature ${\mathit{k}}_{\mathit{B}}$${\mathit{T}}_{\mathit{c}}$/J=1.68\ifmmode\pm\else\textpm\fi{}0.01, and the ratio of the exponents \ensuremath{\gamma}/\ensuremath{\nu}=2.0\ifmmode\pm\else\textpm\fi{}0.05, which are in good agreement with the estimates of the high-temperature series-expansion method.

Physical review. B, Condensed matterMay 1, 199110 citations

{\mathit{k}}_{\mathit{B}}

=1). For S=3/2 we obtain the exponent \ensuremath{\gamma}=1.45\ifmmode\pm\else\textpm\fi{}0.05 for the divergence of the staggered susceptibility.

We present an analysis of high precision Monte Carlo data for the two dimensional S=1/2 quantum Heisenberg antiferromagnet up to

ξ= 95.7(3)

obtained by the continuous time version of the loop algorithm. Our data are in good agreement with a prediction of the recent theory (Phys. Rev. Lett. vol. 77, 3439 (1996)) in very high temperature regime, but they strongly disagree with it in the low temperature regime.

{\mathit{k}}_{\mathit{B}}

T)] with the constant b=4.5\ifmmode\pm\else\textpm\fi{}0.5, which is lower than the prediction (b=2\ensuremath{\pi}) of a modified spin-wave theory. For the simple-cubic lattice, we find that the critical temperature

{\mathit{k}}_{\mathit{B}}

{\mathit{T}}_{\mathit{c}}

/J=1.68\ifmmode\pm\else\textpm\fi{}0.01, and the ratio of the exponents \ensuremath{\gamma}/\ensuremath{\nu}=2.0\ifmmode\pm\else\textpm\fi{}0.05, which are in good agreement with the estimates of the high-temperature series-expansion method.