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Progress of Theoretical Physics

Decoupled Cell Method Monte Carlo Simulation for Quantum Spin Systems

Shigeo Homma, H. Matsuda, N. Ogita

Published May 1, 1986• 19 citations
Publisher

Abstract

The internal energy and perpendicular susceptibility of the one-dimentional XY-model are calculated by the decoupled cell method Monte Carlo simulation for quantum systems. Above a cenrain demarcation temperature depending on the cell size the agreement with the exact result is excellent, whereas below it the result of simulation becomes unreliable.

DOI
10.1143/ptp.75.1058

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Physical review. B, Condensed matter•Mar 1, 1991•528 citations
The internal energy and perpendicular susceptibility of the one-dimentional XY-model are calculated by the decoupled cell method Monte Carlo simulation for quantum systems. Above a cenrain demarcation temperature depending on the cell size the agreement with the exact result is excellent, whereas below it the result of simulation becomes unreliable.
Decoupled cell method is introduced as a method of Monte Carlo simulation for quantum spin systems. Based on this method we calculated the thermodynamic quantities such as an internal energy, in-plane and out-of-plane susceptibilities and spin-spin correlation functions in one dimensional XY model. The agreement with the exact results is excellent above a certain demarcation temperature. This method is also applied to the antiferromagnetic Heisenberg model on the triangular lattice. The results indicate the existence of a sublattice structure composed of three sublattices, although its spatial and temporal behaviours are short ranged.
The properties of the spin-1/2 Heisenberg model on 1, 2, and 3-dimensional lattices are calculated using the Decoupled Cell Method of Homma et al., and these results are compared with high temperature and spin-wave expansions, and with other numerical approaches. The DCM has advantages over other Monte Carlo methods currently in wide use in that the transition probability is positive definite, there is no need to introduce an additional imaginary time, or Trotter, dimension, and the acceptance rate for transitions is comparable to that of classical lattice models. We find very good agreement between the DCM and the high temperature expansion in the temperature region where the high temperature expansion is valid, and reasonably good agreement at low temperatures with spin wave theory. The DCM fails for temperatures T < Tc which decreases with the size of the cell.
The three-dimensional spin-1/2 Heisenberg model on a simple cubic lattice is studied for ferromagnetic and antiferromagnetic interactions using the Decoupled Cell Method for quantum Monte Carlo. Results for the relaxation time τL are determined for both ferromagnetic and antiferromagnetic systems and found to be similar to those found for the classical (s → ∞) Heisenberg model. The scaling of τL with system size is used to extract the dynamical critical exponent z for the two systems. The values of z = 1.98 ± 0.12 for the ferromagnet and z = 1.94 ± 0.09 for the antiferromagnet are in good agreement with theoretical predictions and previous Monte Carlo studies of the classical Heisenberg model.
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 kB{\mathit{k}}_{\mathit{B}}kB​=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.