2,670 research outputs found
The thermal conductivity reduction in HgTe/CdTe superlattices
The techniques used previously to calculate the three-fold thermal
conductivity reduction due to phonon dispersion in GaAs/AlAs superlattices
(SLs) are applied to HgTe/CdTe SLs. The reduction factor is approximately the
same, indicating that this SL may be applicable both as a photodetector and a
thermoelectric cooler.Comment: 5 pages, 2 figures; to be published in Journal of Applied Physic
A self-consistent perturbative evaluation of ground state energies: application to cohesive energies of spin lattices
The work presents a simple formalism which proposes an estimate of the ground
state energy from a single reference function. It is based on a perturbative
expansion but leads to non linear coupled equations. It can be viewed as well
as a modified coupled cluster formulation. Applied to a series of spin lattices
governed by model Hamiltonians the method leads to simple analytic solutions.
The so-calculated cohesive energies are surprisingly accurate. Two examples
illustrate its applicability to locate phase transition.Comment: Accepted by Phys. Rev.
Center of mass and relative motion in time dependent density functional theory
It is shown that the exchange-correlation part of the action functional
in time-dependent density functional theory , where
is the time-dependent density, is invariant under the
transformation to an accelerated frame of reference , where is an arbitrary
function of time. This invariance implies that the exchange-correlation
potential in the Kohn-Sham equation transforms in the following manner:
. Some of the
approximate formulas that have been proposed for satisfy this exact
transformation property, others do not. Those which transform in the correct
manner automatically satisfy the ``harmonic potential theorem", i.e. the
separation of the center of mass motion for a system of interacting particles
in the presence of a harmonic external potential. A general method to generate
functionals which possess the correct symmetry is proposed
Density-functionals not based on the electron gas: Local-density approximation for a Luttinger liquid
By shifting the reference system for the local-density approximation (LDA)
from the electron gas to other model systems one obtains a new class of density
functionals, which by design account for the correlations present in the chosen
reference system. This strategy is illustrated by constructing an explicit LDA
for the one-dimensional Hubbard model. While the traditional {\it ab initio}
LDA is based on a Fermi liquid (the electron gas), this one is based on a
Luttinger liquid. First applications to inhomogeneous Hubbard models, including
one containing a localized impurity, are reported.Comment: 4 pages, 4 figures (final version, contains additional applications
and discussion; accepted by Phys. Rev. Lett.
Ground state parameters, finite-size scaling, and low-temperature properties of the two-dimensional S=1/2 XY model
We present high-precision quantum Monte Carlo results for the S=1/2 XY model
on a two-dimensional square lattice, in the ground state as well as at finite
temperature. The energy, the spin stiffness, the magnetization, and the
susceptibility are calculated and extrapolated to the thermodynamic limit. For
the ground state, we test a variety of finite-size scaling predictions of
effective Lagrangian theory and find good agreement and consistency between the
finite-size corrections for different quantities. The low-temperature behavior
of the susceptibility and the internal energy is also in good agreement with
theoretical predictions.Comment: 6 pages, 8 figure
Ground State and Excitations of Disordered Boson Systems
After an introduction to the dirty bosons problem, we present a gaussian
theory for the ground state and excitations. This approach is physically
equivalent to the Bogoliubov approximation. We find that ODLRO can be destroyed
with sufficient disorder. The density of states and localization of the
elementary excitations are discussed. (To appear in JLTP Proceedings of the
Conference on Condensed Bose Systems at the University of Minnesota, 1993.)Comment: 13 pages. (postscript file because of the figures inserted in the
text.
Finite-Size Scaling of the Ground State Parameters of the Two-Dimensional Heisenberg Model
The ground state parameters of the two-dimensional S=1/2 antiferromagnetic
Heisenberg model are calculated using the Stochastic Series Expansion quantum
Monte Carlo method for L*L lattices with L up to 16. The finite-size results
for the energy E, the sublattice magnetization M, the long-wavelength
susceptibility chi_perp(q=2*pi/L), and the spin stiffness rho_s, are
extrapolated to the thermodynamic limit using fits to polynomials in 1/L,
constrained by scaling forms previously obtained from renormalization group
calculations for the nonlinear sigma model and chiral perturbation theory. The
results are fully consistent with the predicted leading finite-size corrections
and are of sufficient accuracy for extracting also subleading terms. The
subleading energy correction (proportional to 1/L^4) agrees with chiral
perturbation theory to within a statistical error of a few percent, thus
providing the first numerical confirmation of the finite-size scaling forms to
this order. The extrapolated ground state energy per spin, E=-0.669437(5), is
the most accurate estimate reported to date. The most accurate Green's function
Monte Carlo (GFMC) result is slightly higher than this value, most likely due
to a small systematic error originating from ``population control'' bias in
GFMC. The other extrapolated parameters are M=0.3070(3), rho_s = 0.175(2),
chi_perp = 0.0625(9), and the spinwave velocity c=1.673(7). The statistical
errors are comparable with those of the best previous estimates, obtained by
fitting loop algorithm quantum Monte Carlo data to finite-temperature scaling
forms. Both M and rho_s obtained from the finite-T data are, however, a few
error bars higher than the present estimates. It is argued that the T=0
extrapolations performed here are less sensitive to effects of neglectedComment: 16 pages, RevTex, 9 PostScript figure
Excitonic effects in solids described by time-dependent density functional theory
Starting from the many-body Bethe-Salpeter equation we derive an
exchange-correlation kernel that reproduces excitonic effects in bulk
materials within time-dependent density functional theory. The resulting
accounts for both self-energy corrections and the electron-hole
interaction. It is {\em static}, {\em non-local} and has a long-range Coulomb
tail. Taking the example of bulk silicon, we show that the
divergency is crucial and can, in the case of continuum excitons, even be
sufficient for reproducing the excitonic effects and yielding excellent
agreement between the calculated and the experimental absorption spectrum.Comment: 6 pages, 1 figur
Transfer-Matrix Monte Carlo Estimates of Critical Points in the Simple Cubic Ising, Planar and Heisenberg Models
The principle and the efficiency of the Monte Carlo transfer-matrix algorithm
are discussed. Enhancements of this algorithm are illustrated by applications
to several phase transitions in lattice spin models. We demonstrate how the
statistical noise can be reduced considerably by a similarity transformation of
the transfer matrix using a variational estimate of its leading eigenvector, in
analogy with a common practice in various quantum Monte Carlo techniques. Here
we take the two-dimensional coupled -Ising model as an example.
Furthermore, we calculate interface free energies of finite three-dimensional
O() models, for the three cases , 2 and 3. Application of finite-size
scaling to the numerical results yields estimates of the critical points of
these three models. The statistical precision of the estimates is satisfactory
for the modest amount of computer time spent
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