39 research outputs found
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
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.
Disorder Induced Phase Transition in a Random Quantum Antiferromagnet
A two-dimensional Heisenberg model with random antiferromagnetic
nearest-neighbor exchange is studied using quantum Monte Carlo techniques. As
the strength of the randomness is increased, the system undergoes a transition
from an antiferromagnetically ordered ground state to a gapless disordered
state. The finite-size scaling of the staggered structure factor and
susceptibility is consistent with a dynamic exponent .Comment: Revtex 3.0, 10 pages + 5 postscript figures available upon request,
UCSBTH-94-1
Numerical Study of a Two-Dimensional Quantum Antiferromagnet with Random Ferromagnetic Bonds
A Monte Carlo method for finite-temperature studies of the two-dimensional
quantum Heisenberg antiferromagnet with random ferromagnetic bonds is
presented. The scheme is based on an approximation which allows for an analytic
summation over the realizations of the randomness, thereby significantly
alleviating the ``sign problem'' for this frustrated spin system. The
approximation is shown to be very accurate for ferromagnetic bond
concentrations of up to ten percent. The effects of a low concentration of
ferromagnetic bonds on the antiferromagnetism are discussed.Comment: 11 pages + 5 postscript figures (included), Revtex 3.0, UCSBTH-94-2
Peierls transition in the presence of finite-frequency phonons in the one-dimensional extended Peierls-Hubbard model at half-filling
We report quantum Monte Carlo (stochastic series expansion) results for the
transition from a Mott insulator to a dimerized Peierls insulating state in a
half-filled, 1D extended Hubbard model coupled to optical bond phonons. Using
electron-electron (e-e) interaction parameters corresponding approximately to
polyacetylene, we show that the Mott-Peierls transition occurs at a finite
value of the electron-phonon (e-ph) coupling. We discuss several different
criteria for detecting the transition and show that they give consistent
results. We calculate the critical e-ph coupling as a function of the bare
phonon frequency and also investigate the sensitivity of the critical coupling
to the strength of the e-e interaction. In the limit of strong e-e couplings,
we map the model to a spin-Peierls chain and compare the phase boundary with
previous results for the spin-Peierls transition. We point out effects of a
nonlinear spin-phonon coupling neglected in the mapping to the spin-Peierls
model.Comment: 7 pages, 5 figure
Universal SSE algorithm for Heisenberg model and Bose Hubbard model with interaction
We propose universal SSE method for simulation of Heisenberg model with
arbitrary spin and Bose Hubbard model with interaction. We report on the first
calculations of soft-core bosons with interaction by the SSE method. Moreover
we develop a simple procedure for increase efficiency of the algorithm. From
calculation of integrated autocorrelation times we conclude that the method is
efficient for both models and essentially eliminates the critical slowing down
problem.Comment: 6 pages, 5 figure
Quantum lattice fluctuations in a frustrated Heisenberg spin-Peierls chain
As a simple model for spin-Peierls systems we study a frustrated Heisenberg
chain coupled to optical phonons. In view of the anorganic spin-Peierls
compound CuGeO3 we consider two different mechanisms of spin-phonon coupling.
Combining variational concepts in the adiabatic regime and perturbation theory
in the anti-adiabatic regime we derive effective spin Hamiltonians which cover
the dynamical effect of phonons in an approximate way. Ground-state phase
diagrams of these models are determined, and the effect of frustration is
discussed. Comparing the properties of the ground state and of low-lying
excitations with exact diagonalization data for the full quantum spin phonon
models, good agreement is found especially in the anti-adiabatic regime.Comment: 9 pages, 7 figures included, submitted to Phys. Rev.
Metal-insulator transition in the one-dimensional Holstein model at half filling
We study the one-dimensional Holstein model with spin-1/2 electrons at
half-filling. Ground state properties are calculated for long chains with great
accuracy using the density matrix renormalization group method and extrapolated
to the thermodynamic limit. We show that for small electron-phonon coupling or
large phonon frequency, the insulating Peierls ground state predicted by
mean-field theory is destroyed by quantum lattice fluctuations and that the
system remains in a metallic phase with a non-degenerate ground state and
power-law electronic and phononic correlations. When the electron-phonon
coupling becomes large or the phonon frequency small, the system undergoes a
transition to an insulating Peierls phase with a two-fold degenerate ground
state, long-range charge-density-wave order, a dimerized lattice structure, and
a gap in the electronic excitation spectrum.Comment: 6 pages (LaTex), 10 eps figure
The microscopic spin-phonon coupling constants in CuGeO_3
Using RPA results, mean field theory, and refined data for the polarization
vectors we determine the coupling constants of the four Peierls-active phonon
modes to the spin chains of CuGeO_3. We then derive the values of the coupling
of the spin system to the linear ionic displacements, the bond lengths and the
angles between bonds. Our values are consistent with microscopic theories and
various experimental results. We discuss the applicability of static approaches
to the spin-phonon coupling. The c-axis anomaly of the thermal expansion is
explained. We give the values of the coupling constants in an effective
one-dimensional Hamiltonian.Comment: 11 pages, two figures, 13 tables, PRB 59 (in press
Effect of an Electron-phonon Interaction on the One-electron Spectral Weight of a d-wave Superconductor
We analyze the effects of an electron-phonon interaction on the one-electron
spectral weight A(k,omega) of a d_{x^2-y^2} superconductor. We study the case
of an Einstein phonon mode with various momentum-dependent electron-phonon
couplings and compare the structure produced in A(k,omega) with that obtained
from coupling to the magnetic pi-resonant mode. We find that if the strength of
the interactions are adjusted to give the same renormalization at the nodal
point, the differences in A(k,omega) are generally small but possibly
observable near k=(pi,0).Comment: 10 pages, 14 figures (color versions of Figs. 2,4,10,11,12 available
upon request