11 research outputs found
Numerical Study of the Spin-Flop Transition in Anisotropic Spin-1/2 Antiferromagnets
Magnetization processes of the spin-1/2 antiferromagnetic model in two
and three spatial dimensions are studied using quantum Monte Carlo method based
on stochastic series expansions. Recently developed operator-loop algorithm
enables us to show a clear evidence of the first-order phase transition in the
presence of an external magnetic field. Phase diagrams of closely related
systems, hard core bosons with nearest-neighbor repulsions, are also discussed
focusing on possibilities of phase-separated and supersolid phases.Comment: 4 pages, Revtex version 4, with 4 figures embedded, To appear in
Phys. Rev.
The sign problem in Monte Carlo simulations of frustrated quantum spin systems
We discuss the sign problem arising in Monte Carlo simulations of frustrated
quantum spin systems. We show that for a class of ``semi-frustrated'' systems
(Heisenberg models with ferromagnetic couplings along the -axis
and antiferromagnetic couplings in the -plane, for
arbitrary distances ) the sign problem present for algorithms operating in
the -basis can be solved within a recent ``operator-loop'' formulation of
the stochastic series expansion method (a cluster algorithm for sampling the
diagonal matrix elements of the power series expansion of
to all orders). The solution relies on identification of operator-loops which
change the configuration sign when updated (``merons'') and is similar to the
meron-cluster algorithm recently proposed by Chandrasekharan and Wiese for
solving the sign problem for a class of fermion models (Phys. Rev. Lett. {\bf
83}, 3116 (1999)). Some important expectation values, e.g., the internal
energy, can be evaluated in the subspace with no merons, where the weight
function is positive definite. Calculations of other expectation values require
sampling of configurations with only a small number of merons (typically zero
or two), with an accompanying sign problem which is not serious. We also
discuss problems which arise in applying the meron concept to more general
quantum spin models with frustrated interactions.Comment: 13 pages, 16 figure
Specific heat of quasi-2D antiferromagnetic Heisenberg models with varying inter-planar couplings
We have used the stochastic series expansion (SSE) quantum Monte Carlo (QMC)
method to study the three-dimensional (3D) antiferromagnetic Heisenberg model
on cubic lattices with in-plane coupling J and varying inter-plane coupling
J_perp < J. The specific heat curves exhibit a 3D ordering peak as well as a
broad maximum arising from short-range 2D order. For J_perp << J, there is a
clear separation of the two peaks. In the simulations, the contributions to the
total specific heat from the ordering across and within the layers can be
separated, and this enables us to study in detail the 3D peak around T_c (which
otherwise typically is dominated by statistical noise). We find that the peak
height decreases with decreasing J_perp, becoming nearly linear below J_perp =
0.2J. The relevance of these results to the lack of observed specific heat
anomaly at the ordering transition of some quasi-2D antiferromagnets is
discussed.Comment: 7 pages, 8 figure
Quantum Monte Carlo with Directed Loops
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
back-tracking processes in the loop construction) to more restricted loop
algorithms that can be constructed only for a limited range of Hamiltonians
(where back-tracking 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 2D 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_perp = 0.0659 +-
0.0002.Comment: v2: Revised and expanded discussion of detailed balance, error in
algorithmic phase diagram corrected, to appear in Phys. Rev.