3,319 research outputs found
Hydrodynamic limit for weakly asymmetric simple exclusion processes in crystal lattices
We investigate the hydrodynamic limit for weakly asymmetric simple exclusion
processes in crystal lattices. We construct a suitable scaling limit by using a
discrete harmonic map. As we shall observe, the quasi-linear parabolic equation
in the limit is defined on a flat torus and depends on both the local structure
of the crystal lattice and the discrete harmonic map. We formulate the local
ergodic theorem on the crystal lattice by introducing the notion of local
function bundle, which is a family of local functions on the configuration
space. The ideas and methods are taken from the discrete geometric analysis to
these problems. Results we obtain are extensions of ones by Kipnis, Olla and
Varadhan to crystal lattices.Comment: 41 pages, 7 figure
Stability of the superfluid state in a disordered 1D ultracold fermionic gas
We study a 1D Fermi gas with attractive short range-interactions in a
disordered potential by the density matrix renormalization group (DMRG)
technique. This setting can be implemented experimentally by using cold atom
techniques. We identify a region of parameters for which disorder enhances the
superfluid state. As disorder is further increased, global superfluidity
eventually breaks down. However this transition occurs before the transition to
the insulator state takes place. This suggests the existence of an intermediate
metallic `pseudogap' phase characterized by strong pairing but no quasi
long-range order.Comment: 5 pages, 5 figure
Spin wave dispersion based on the quasiparticle self-consistent method: NiO, MnO and -MnAs
We present spin wave dispersions in MnO, NiO, and -MnAs based on the
quasiparticle self-consistent method (\qsgw), which determines an optimum
quasiparticle picture. For MnO and NiO, \qsgw results are in rather good
agreement with experiments, in contrast to the LDA and LDA+U description. For
-MnAs, we find a collinear ferromagnetic ground state in \qsgw, while
this phase is unstable in the LDA.Comment: V2: add another figure for SW life time. Formalism is detaile
Quasiparticle Self-Consistent GW Theory
In past decades the scientific community has been looking for a reliable
first-principles method to predict the electronic structure of solids with high
accuracy. Here we present an approach which we call the quasiparticle
self-consistent GW approximation (QpscGW). It is based on a kind of
self-consistent perturbation theory, where the self-consistency is constructed
to minimize the perturbation. We apply it to selections from different classes
of materials, including alkali metals, semiconductors, wide band gap
insulators, transition metals, transition metal oxides, magnetic insulators,
and rare earth compounds. Apart some mild exceptions, the properties are very
well described, particularly in weakly correlated cases. Self-consistency
dramatically improves agreement with experiment, and is sometimes essential.
Discrepancies with experiment are systematic, and can be explained in terms of
approximations made.Comment: 12 pages, 3 figure
Theoretical study of resonant x-ray emission spectroscopy of Mn films on Ag
We report a theoretical study on resonant x-ray emission spectra (RXES) in
the whole energy region of the Mn white lines for three prototypical
Mn/Ag(001) systems: (i) a Mn impurity in Ag, (ii) an adsorbed Mn monolayer on
Ag, and (iii) a thick Mn film. The calculated RXES spectra depend strongly on
the excitation energy. At excitation, the spectra of all three systems
are dominated by the elastic peak. For excitation energies around , and
between and , however, most of the spectral weight comes from
inelastic x-ray scattering. The line shape of these inelastic ``satellite''
structures changes considerably between the three considered Mn/Ag systems, a
fact that may be attributed to changes in the bonding nature of the Mn-
orbitals. The system-dependence of the RXES spectrum is thus found to be much
stronger than that of the corresponding absorption spectrum. Our results
suggest that RXES in the Mn region may be used as a sensitive probe
of the local environment of Mn atoms.Comment: 9 pages, 11 figure
Electronic structure investigation of CeB6 by means of soft X-ray scattering
The electronic structure of the heavy fermion compound CeB6 is probed by
resonant inelastic soft X-ray scattering using photon energies across the Ce 3d
and 4d absorption edges. The hybridization between the localized 4f orbitals
and the delocalized valence-band states is studied by identifying the different
spectral contributions from inelastic Raman scattering and normal fluorescence.
Pronounced energy-loss structures are observed below the elastic peak at both
the 3d and 4d thresholds. The origin and character of the inelastic scattering
structures are discussed in terms of charge-transfer excitations in connection
to the dipole allowed transitions with 4f character. Calculations within the
single impurity Anderson model with full multiplet effects are found to yield
consistent spectral functions to the experimental data.Comment: 9 pages, 4 figures, 1 table,
http://link.aps.org/doi/10.1103/PhysRevB.63.07510
Exact-exchange density-functional calculations for noble-gas solids
The electronic structure of noble-gas solids is calculated within density
functional theory's exact-exchange method (EXX) and compared with the results
from the local-density approximation (LDA). It is shown that the EXX method
does not reproduce the fundamental energy gaps as well as has been reported for
semiconductors. However, the EXX-Kohn-Sham energy gaps for these materials
reproduce about 80 % of the experimental optical gaps. The structural
properties of noble-gas solids are described by the EXX method as poorly as by
the LDA one. This is due to missing Van der Waals interactions in both, LDA and
EXX functionals.Comment: 4 Fig
Many-body Electronic Structure of Metallic alpha-Uranium
We present results for the electronic structure of alpha uranium using a
recently developed quasiparticle self-consistent GW method (QSGW). This is the
first time that the f-orbital electron-electron interactions in an actinide has
been treated by a first-principles method beyond the level of the generalized
gradient approximation (GGA) to the local density approximation (LDA). We show
that the QSGW approximation predicts an f-level shift upwards of about 0.5 eV
with respect to the other metallic s-d states and that there is a significant
f-band narrowing when compared to LDA band-structure results. Nonetheless,
because of the overall low f-electron occupation number in uranium,
ground-state properties and the occupied band structure around the Fermi energy
is not significantly affected. The correlations predominate in the unoccupied
part of the f states. This provides the first formal justification for the
success of LDA and GGA calculations in describing the ground-state properties
of this material.Comment: 4 pages, 3 fihgure
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