1,505 research outputs found
Selfconsistent hybridization expansions for static properties of the Anderson impurity model
By means of a projector-operator formalism we derive an approximation based
on a self consistent hybridization expansion to study the ground state
properties of the Anderson Impurity model. We applied the approximation to the
general case of finite Coulomb repulsion , extending previous work with the
same formalism in the infinite- case. The treatment provides a very accurate
calculation of the ground state energy and their related zero temperature
properties in the case in which is large enough, but still finite, as
compared with the rest of energy scales involved in the model. The results for
the valence of the impurity are compared with exact results that we obtain from
equations derived using the Bethe ansatz and with a perturbative approach. The
magnetization and magnetic susceptibility is also compared with Bethe ansatz
results. In order to do this comparison, we also show how to regularize the
Bethe ansatz integral equations necessary to calculate the impurity valence,
for arbitrary values of the parameters.Comment: 8 pages, 5 figure
Modeling power grids
We present a method to construct random model power grids that closely match
statistical properties of a real power grid. The model grids are more difficult
to partition than a real grid.Comment: 9 pages, 5 figure
Effects of semiclassical spiral fluctuations on hole dynamics
We investigate the dynamics of a single hole coupled to the spiral
fluctuations related to the magnetic ground states of the antiferromagnetic
J_1-J_2-J_3 Heisenberg model on a square lattice. Using exact diagonalization
on finite size clusters and the self consistent Born approximation in the
thermodynamic limit we find, as a general feature, a strong reduction of the
quasiparticle weight along the spiral phases of the magnetic phase diagram. For
an important region of the Brillouin Zone the hole spectral functions are
completely incoherent, whereas at low energies the spectral weight is
redistributed on several irregular peaks. We find a characteristic value of the
spiral pitch, Q=(0.7,0.7)\pi, for which the available phase space for hole
scattering is maximum. We argue that this behavior is due to the non trivial
interference of the magnon assisted and the free hopping mechanism for hole
motion, characteristic of a hole coupled to semiclassical spiral fluctuations.Comment: 6 pages, 5 figure
Cl electrosorption on Ag(100): Lateral interactions and electrosorption valency from comparison of Monte Carlo simulations with chronocoulometry experiments
We present Monte Carlo Simulations using an equilibrium lattice-gas model for
the electrosorption of Cl on Ag(100) single-crystal surfaces. Fitting the
simulated isotherms to chronocoulometry experiments, we extract parameters such
as the electrosorption valency gamma and the next-nearest-neighbor lateral
interaction energy phi_nnn. Both coverage-dependent and coverage independent
gamma were previously studied assuming a constant phi_nnn [I. Abou Hamad, Th.
Wandlowski, G. Brown, P.A. Rikvold, J. Electroanal. Chem. 554-555 (2003) 211].
Here, a self-consistent, entirely electrostatic picture of the lateral
interactions with a coverage-dependent phi_nnn is developed, and a relationship
between phi_nnn and gamma is investigated for Cl on Ag(100).Comment: Accepted for publication in Electrochimica Acta, 10 pages, 7 figures,
2 tables and an appendi
Spin polaron in the J1-J2 Heisenberg model
We have studied the validity of the spin polaron picture in the frustrated
J1-J2 Heisenberg model. For this purpose, we have computed the hole spectral
functions for the Neel, collinear, and disordered phases of this model, by
means of the self-consistent Born approximation and Lanczos exact
diagonalization on finite-size clusters. We have found that the spin polaron
quasiparticle excitation is always well defined for the magnetically ordered
Neel and collinear phases, even in the vicinity of the magnetic quantum
critical points, where the local magnetization vanishes. As a general feature,
the effect of frustration is to increase the amplitude of the multimagnon
states that build up the spin polaron wave function, leading to the reduction
of the quasiparticle coherence. Based on Lanczos results, we discuss the
validity of the spin polaron picture in the disordered phase.Comment: 9 pages, 12 figure
Electrosorption of Br and Cl on Ag(100): Experiments and Computer Simulations
We present chronocoulometry experiments and equilibrium Monte Carlo
simulations for the electrosorption of Br and Cl on Ag(100) single-crystal
electrode surfaces. Two different methods are used to calculate the long-range
part of the adsorbate-adsorbate interactions. The first method is a
truncated-sum approach, while the second is a mean-field-enhanced truncated-sum
approach. To compare the two methods, the resulting isotherms are fit to
experimental adsorption isotherms, assuming both a constant electrosorption
valency &gamma and also a coverage-dependent &gamma. While a constant &gamma
fits the Br/Ag(100) well, a coverage-dependent or potential-dependent &gamma is
needed for Cl/Ag(100)
Effects of lateral diffusion on morphology and dynamics of a microscopic lattice-gas model of pulsed electrodeposition
The influence of nearest-neighbor diffusion on the decay of a metastable
low-coverage phase (monolayer adsorption) in a square lattice-gas model of
electrochemical metal deposition is investigated by kinetic Monte Carlo
simulations. The phase-transformation dynamics are compared to the
well-established Kolmogorov-Johnson-Mehl-Avrami theory. The phase
transformation is accelerated by diffusion, but remains in accord with the
theory for continuous nucleation up to moderate diffusion rates. At very high
diffusion rates the phase-transformation kinetic shows a crossover to
instantaneous nucleation. Then, the probability of medium-sized clusters is
reduced in favor of large clusters. Upon reversal of the supersaturation, the
adsorbate desorbs, but large clusters still tend to grow during the initial
stages of desorption. Calculation of the free energy of subcritical clusters by
enumeration of lattice animals yields a quasi-equilibrium distribution which is
in reasonable agreement with the simulation results. This is an improvement
relative to classical droplet theory, which fails to describe the
distributions, since the macroscopic surface tension is a bad approximation for
small clusters.Comment: Minor corrections and modifications. 15 pages with 10 figures.
Accepted for publication in the Journal of Chemical Physics, see
http://jcp.aip.org/jcp
- …