338 research outputs found
The DFT+U: Approaches, Accuracy, and Applications
This chapter introduces the Hubbard model and its applicability as a corrective tool for accurate modeling of the electronic properties of various classes of systems. The attainment of a correct description of electronic structure is critical for predicting further electronic-related properties, including intermolecular interactions and formation energies. The chapter begins with an introduction to the formulation of density functional theory (DFT) functionals, while addressing the origin of bandgap problem with correlated materials. Then, the corrective approaches proposed to solve the DFT bandgap problem are reviewed, while comparing them in terms of accuracy and computational cost. The Hubbard model will then offer a simple approach to correctly describe the behavior of highly correlated materials, known as the Mott insulators. Based on Hubbard model, DFT+U scheme is built, which is computationally convenient for accurate calculations of electronic structures. Later in this chapter, the computational and semiempirical methods of optimizing the value of the Coulomb interaction potential (U) are discussed, while evaluating the conditions under which it can be most predictive. The chapter focuses on highlighting the use of U to correct the description of the physical properties, by reviewing the results of case studies presented in literature for various classes of materials
Search for Neutrinoless Double-Beta Decay in Xe with EXO-200
We report on a search for neutrinoless double-beta decay of Xe with
EXO-200. No signal is observed for an exposure of 32.5 kg-yr, with a background
of ~1.5 x 10^{-3} /(kg yr keV) in the region of interest. This
sets a lower limit on the half-life of the neutrinoless double-beta decay
(Xe) > 1.6 x 10 yr (90% CL),
corresponding to effective Majorana masses of less than 140-380 meV, depending
on the matrix element calculation
Measurement of the Reaction in Search for the Recently Observed Resonance Structure in and systems
Exclusive measurements of the quasi-free reaction have
been performed by means of collisions at = 1.2 GeV using the WASA
detector setup at COSY. Total and differential cross sections have been
obtained covering the energy region = (2.35 - 2.46) GeV, which
includes the region of the ABC effect and its associated resonance structure.
No ABC effect, {\it i.e.} low-mass enhancement is found in the
-invariant mass spectrum -- in agreement with the constraint from
Bose statistics that the isovector pion pair can not be in relative s-wave. At
the upper end of the covered energy region -channel processes for Roper,
and excitations provide a reasonable description
of the data, but at low energies the measured cross sections are much larger
than predicted by such processes. Adding a resonance amplitude for the
resonance at =~2.37 GeV with =~70 MeV and observed
recently in and reactions leads to an
agreement with the data also at low energies
Search for the eta-mesic 4He with WASA-at-COSY detector
An exclusive measurement of the excitation function for the dd->3Heppi-
reaction was performed at the Cooler Synchrotron COSY-Juelich with the
WASA-at-COSY detection system. The data were taken during a slow acceleration
of the beam from 2.185 GeV/c to 2.400 GeV/c crossing the kinematic threshold
for the eta meson production in the dd->4He-eta reaction at 2.336 GeV/c. The
corresponding excess energy with respect to the 4He-eta system varied from
-51.4MeV to 22MeV. The integrated luminosity in the experiment was determined
using the dd->3Hen reaction. The shape of the excitation function for the
dd->3Heppi- was examined. No signal of the 4He-eta bound state was observed. An
upper limit for the cross-section for the bound state formation and decay in
the process dd->(4He-eta)bound->3Heppi- was determined on the 90% confidence
level and it varies from 20nb to 27nb for the bound state width ranging from
5MeV to 35MeV, respectively.Comment: 8 pages, 9 figure
Search for a dark photon in the decay
The presently world largest data sample of pi0 --> gamma e+e- decays
containing nearly 5E5 events was collected using the WASA detector at COSY. A
search for a dark photon U produced in the pi0 --> gamma U --> gamma e+e- decay
from the pp-->pp\pi^0 reaction was carried out. An upper limit on the square of
the U-gamma mixing strength parameter epsilon^2 of 5e-6 at 90% CL was obtained
for the mass range 20 MeV <M_U< 100 MeV. This result together with other recent
experimental limits significantly reduces the M_U vs. \epsilon^2 parameter
space preferred by the measured value of the muon anomalous magnetic moment.Comment: 16 pages, 8 figures; improved analysis extending the exclusion region
to 20 MeV<M_U< 100 MeV; implemented changes requested by referee
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