579 research outputs found
Maximally-localized Wannier functions for entangled energy bands
We present a method for obtaining well-localized Wannier-like functions (WFs)
for energy bands that are attached to or mixed with other bands. The present
scheme removes the limitation of the usual maximally-localized WFs method (N.
Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997)) that the bands of
interest should form an isolated group, separated by gaps from higher and lower
bands everywhere in the Brillouin zone. An energy window encompassing N bands
of interest is specified by the user, and the algorithm then proceeds to
disentangle these from the remaining bands inside the window by filtering out
an optimally connected N-dimensional subspace. This is achieved by minimizing a
functional that measures the subspace dispersion across the Brillouin zone. The
maximally-localized WFs for the optimal subspace are then obtained via the
algorithm of Marzari and Vanderbilt. The method, which functions as a
postprocessing step using the output of conventional electronic-structure
codes, is applied to the s and d bands of copper, and to the valence and
low-lying conduction bands of silicon. For the low-lying nearly-free-electron
bands of copper we find WFs which are centered at the tetrahedral interstitial
sites, suggesting an alternative tight-binding parametrization.Comment: 13 pages, with 9 postscript figures embedded. Uses REVTEX and epsf
macro
Spin, charge and orbital ordering in ferrimagnetic insulator YBaMnO
The oxygen-deficient (double) perovskite YBaMnO, containing
corner-linked MnO square pyramids, is found to exhibit ferrimagnetic
ordering in its ground state. In the present work we report
generalized-gradient-corrected, relativistic first-principles full-potential
density-functional calculations performed on YBaMnO in the nonmagnetic,
ferromagnetic and ferrimagnetic states. The charge, orbital and spin orderings
are explained with site-, angular momentum- and orbital-projected density of
states, charge-density plots, electronic structure and total energy studies.
YBaMnO is found to stabilize in a G-type ferrimagnetic state in
accordance with experimental results. The experimentally observed insulating
behavior appears only when we include ferrimagnetic ordering in our
calculation. We observed significant optical anisotropy in this material
originating from the combined effect of ferrimagnetic ordering and crystal
field splitting. In order to gain knowledge about the presence of different
valence states for Mn in YBaMnO we have calculated -edge x-ray
absorption near-edge spectra for the Mn and O atoms. The presence of the
different valence states for Mn is clearly established from the x-ray
absorption near-edge spectra, hyperfine field parameters and the magnetic
properties study. Among the experimentally proposed structures, the recently
reported description based on 4/ is found to represent the stable
structure
Charged pion form factor between Q^2=0.60 and 2.45 GeV^2. II. Determination of, and results for, the pion form factor
The charged pion form factor, Fpi(Q^2), is an important quantity which can be
used to advance our knowledge of hadronic structure. However, the extraction of
Fpi from data requires a model of the 1H(e,e'pi+)n reaction, and thus is
inherently model dependent. Therefore, a detailed description of the extraction
of the charged pion form factor from electroproduction data obtained recently
at Jefferson Lab is presented, with particular focus given to the dominant
uncertainties in this procedure. Results for Fpi are presented for
Q^2=0.60-2.45 GeV^2. Above Q^2=1.5 GeV^2, the Fpi values are systematically
below the monopole parameterization that describes the low Q^2 data used to
determine the pion charge radius. The pion form factor can be calculated in a
wide variety of theoretical approaches, and the experimental results are
compared to a number of calculations. This comparison is helpful in
understanding the role of soft versus hard contributions to hadronic structure
in the intermediate Q^2 regime.Comment: 18 pages, 11 figure
Nonlinear Integer Programming
Research efforts of the past fifty years have led to a development of linear
integer programming as a mature discipline of mathematical optimization. Such a
level of maturity has not been reached when one considers nonlinear systems
subject to integrality requirements for the variables. This chapter is
dedicated to this topic.
The primary goal is a study of a simple version of general nonlinear integer
problems, where all constraints are still linear. Our focus is on the
computational complexity of the problem, which varies significantly with the
type of nonlinear objective function in combination with the underlying
combinatorial structure. Numerous boundary cases of complexity emerge, which
sometimes surprisingly lead even to polynomial time algorithms.
We also cover recent successful approaches for more general classes of
problems. Though no positive theoretical efficiency results are available, nor
are they likely to ever be available, these seem to be the currently most
successful and interesting approaches for solving practical problems.
It is our belief that the study of algorithms motivated by theoretical
considerations and those motivated by our desire to solve practical instances
should and do inform one another. So it is with this viewpoint that we present
the subject, and it is in this direction that we hope to spark further
research.Comment: 57 pages. To appear in: M. J\"unger, T. Liebling, D. Naddef, G.
Nemhauser, W. Pulleyblank, G. Reinelt, G. Rinaldi, and L. Wolsey (eds.), 50
Years of Integer Programming 1958--2008: The Early Years and State-of-the-Art
Surveys, Springer-Verlag, 2009, ISBN 354068274
Кризи сімейних відносин
Досить багато уваги дослідники приділяють вивченню стадій розвитку сімейних відносин, виходячи з того, що сім’я є відкритою системою, що постійно змінюється
Flux Phase as a Dynamic Jahn-Teller Phase: Berryonic Matter in the Cuprates?
There is considerable evidence for some form of charge ordering on the
hole-doped stripes in the cuprates, mainly associated with the low-temperature
tetragonal phase, but with some evidence for either charge density waves or a
flux phase, which is a form of dynamic charge-density wave. These three states
form a pseudospin triplet, demonstrating a close connection with the E X e
dynamic Jahn-Teller effect, suggesting that the cuprates constitute a form of
Berryonic matter. This in turn suggests a new model for the dynamic Jahn-Teller
effect as a form of flux phase. A simple model of the Cu-O bond stretching
phonons allows an estimate of electron-phonon coupling for these modes,
explaining why the half breathing mode softens so much more than the full
oxygen breathing mode. The anomalous properties of provide a coupling
(correlated hopping) which acts to stabilize density wave phases.Comment: Major Revisions: includes comparisons with specific cuprate phonon
modes, 16 eps figures, revte
UV-B radiation modifies the acclimation processes to drought or cadmium in wheat
Under natural conditions plants are often subjected to multiple stress factors. The main aim of
the present work was to reveal how UV-B radiation affects acclimation to other abiotic
stressors. Wheat seedlings grown under normal light conditions or normal light supplemented
with UV-B radiation were exposed to drought or Cd stress and were screened for changes in
the contents of salicylic acid and its putative precursor ortho-hydroxy-cinnamic acid, and in
the activity of the key synthesis enzyme, phenylalanine ammonia lyase. Certain other
protective mechanisms, such as antioxidant enzyme activities and polyamines, were also
investigated. PEG treatment under UV-B radiation did not cause wilting, but resulted in more
pronounced salicylic acid accumulation, which may provide protection against drought stress
in wheat plants. In contrast, the high level of salicylic acid accumulation in Cd-treated plants
was not further enhanced by UV-B stress, but resulted in pronounced oxidative stress and the
activation of antioxidant systems and polyamine synthesis. Changes in the levels of phenolic
compounds are accompanied by increased phenylalanine ammonia lyase activity in the roots,
but not in the leaves. The similar pattern observed for stress-induced changes in salicylic acid
and ortho-hydroxy-cinnamic acid contents suggested that salicylic acid may play a decisive
role via ortho-hydroxy-cinnamic acid. The results indicated that UV-B radiation might have
either a positive or negative impact under the same conditions in wheat, depending on the
type of secondary abiotic stress factor. The protective or damaging effects observed may be
related to changes in the levels of phenolic compounds
Observation of a new chi_b state in radiative transitions to Upsilon(1S) and Upsilon(2S) at ATLAS
The chi_b(nP) quarkonium states are produced in proton-proton collisions at
the Large Hadron Collider (LHC) at sqrt(s) = 7 TeV and recorded by the ATLAS
detector. Using a data sample corresponding to an integrated luminosity of 4.4
fb^-1, these states are reconstructed through their radiative decays to
Upsilon(1S,2S) with Upsilon->mu+mu-. In addition to the mass peaks
corresponding to the decay modes chi_b(1P,2P)->Upsilon(1S)gamma, a new
structure centered at a mass of 10.530+/-0.005 (stat.)+/-0.009 (syst.) GeV is
also observed, in both the Upsilon(1S)gamma and Upsilon(2S)gamma decay modes.
This is interpreted as the chi_b(3P) system.Comment: 5 pages plus author list (18 pages total), 2 figures, 1 table,
corrected author list, matches final version in Physical Review Letter
Search for displaced vertices arising from decays of new heavy particles in 7 TeV pp collisions at ATLAS
We present the results of a search for new, heavy particles that decay at a
significant distance from their production point into a final state containing
charged hadrons in association with a high-momentum muon. The search is
conducted in a pp-collision data sample with a center-of-mass energy of 7 TeV
and an integrated luminosity of 33 pb^-1 collected in 2010 by the ATLAS
detector operating at the Large Hadron Collider. Production of such particles
is expected in various scenarios of physics beyond the standard model. We
observe no signal and place limits on the production cross-section of
supersymmetric particles in an R-parity-violating scenario as a function of the
neutralino lifetime. Limits are presented for different squark and neutralino
masses, enabling extension of the limits to a variety of other models.Comment: 8 pages plus author list (20 pages total), 8 figures, 1 table, final
version to appear in Physics Letters
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