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arXiv:cond-mat/0204629 · Physical review. B, Condensed matter

Quantum Monte Carlo simulation of thin magnetic films

Patrik Henelius, Peter Fröbrich, P. J. Kuntz, Carsten Timm, Peter J. Jensen

Published Sep 6, 2002• 67 citations
arXivHTMLPDF

Abstract

The stochastic series expansion quantum Monte Carlo method is used to study thin ferromagnetic films, described by a Heisenberg model including local anisotropies. The magnetization curve is calculated, and the results compared to Schwinger boson and many-body Green's function calculations. A transverse field is introduced in order to study the reorientation effect, in which the magnetization changes from out of plane to in plane. Since the approximate theoretical approaches above differ significantly from each other, and the Monte Carlo method is free of systematic errors, the calculation provides an unbiased check of the approximate treatments. By studying quantum spin models with local anisotropies, varying spin size, and a transverse field, we also demonstrate the general applicability of the recent cluster-loop formulation of the stochastic series expansion quantum Monte Carlo method.

DOI
10.1103/physrevb.66.094407

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The stochastic series expansion quantum Monte Carlo method is used to study thin ferromagnetic films, described by a Heisenberg model including local anisotropies. The magnetization curve is calculated, and the results compared to Schwinger boson and many-body Green's function calculations. A transverse field is introduced in order to study the reorientation effect, in which the magnetization changes from out of plane to in plane. Since the approximate theoretical approaches above differ significantly from each other, and the Monte Carlo method is free of systematic errors, the calculation provides an unbiased check of the approximate treatments. By studying quantum spin models with local anisotropies, varying spin size, and a transverse field, we also demonstrate the general applicability of the recent cluster-loop formulation of the stochastic series expansion quantum Monte Carlo method.
We introduce the concept of directed loops in stochastic series expansion and path-integral quantum Monte Carlo methods. Using the detailed balance rules for directed loops, we show that it is possible to smoothly connect generally applicable simulation schemes (in which it is necessary to include backtracking processes in the loop construction) to more restricted loop algorithms that can be constructed only for a limited range of Hamiltonians (where backtracking can be avoided). The "algorithmic discontinuities" between general and special points (or regions) in parameter space can hence be eliminated. As a specific example, we consider the anisotropic S=1/2 Heisenberg antiferromagnet in an external magnetic field. We show that directed-loop simulations are very efficient for the full range of magnetic fields (zero to the saturation point) and anisotropies. In particular, for weak fields and anisotropies, the autocorrelations are significantly reduced relative to those of previous approaches. The back-tracking probability vanishes continuously as the isotropic Heisenberg point is approached. For the XY model, we show that back tracking can be avoided for all fields extending up to the saturation field. The method is hence particularly efficient in this case. We use directed-loop simulations to study the magnetization process in the two-dimensional Heisenberg model at very low temperatures. For LxL lattices with L up to 64, we utilize the step structure in the magnetization curve to extract gaps between different spin sectors. Finite-size scaling of the gaps gives an accurate estimate of the transverse susceptibility in the thermodynamic limit: chi( perpendicular )=0.0659+/-0.0002.
We use the Quantum Monte Carlo Stochastic Series Expansion (SSE) algorithm to investigate the properties of the one-dimensional Heisenberg ferromagnet.We consider the model for two spin values s = 1 2 and s = 1 and study the dependence of the specific heat, magnetisation, magnetic susceptibility and correlation functions on temperature and magnetic field.Obtained results are compared to those derived by analytical methods (Bethe ansatz, Green's function, Random Phase Approximation).In particular, the surprising prediction of a double-peak structure in the specific heat at low temperatures and small magnetic fields can be confirmed.
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