5,670 research outputs found
A Self-consistent DFT+DMFT scheme in the Projector Augmented Wave : Applications to Cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT+U
An implementation of full self-consistency over the electronic density in the
DFT+DMFT framework on the basis of a plane wave-projector augmented wave (PAW)
DFT code is presented. It allows for an accurate calculation of the total
energy in DFT+DMFT within a plane wave approach. In contrast to frameworks
based on the maximally localized Wannier function, the method is easily applied
to f electron systems, such as cerium, cerium oxide (Ce2O3) and plutonium oxide
(Pu2O3). In order to have a correct and physical calculation of the energy
terms, we find that the calculation of the self-consistent density is
mandatory. The formalism is general and does not depend on the method used to
solve the impurity model. Calculations are carried out within the Hubbard I
approximation, which is fast to solve, and gives a good description of strongly
correlated insulators. We compare the DFT+DMFT and DFT+U solutions, and
underline the qualitative differences of their converged densities. We
emphasize that in contrast to DFT+U, DFT+DMFT does not break the spin and
orbital symmetry. As a consequence, DFT+DMFT implies, on top of a better
physical description of correlated metals and insulators, a reduced occurrence
of unphysical metastable solutions in correlated insulators in comparison to
DFT+U.Comment: 19 pages, 9 figures. This is an author-created, un-copyedited version
of an article accepted for publication in Journal of Physics: Condensed
Matter. IOP Publishing Ltd is not responsible for any errors or omissions in
this version of the manuscript or any version derived from it. The Version of
Record is available online at doi: 10.1088/0953-8984/24/7/07560
Antiprotons Annihilation in the Galaxy As A Source of Diffuse Gamma Background
The existence of antimatter domains in baryon asymmetrical Universe can
appear as the cosmological consequence of particle theory in inflationary
models with non-homogeneous baryosynthesis. Such a domain can survive in the
early Universe and form globular cluster of antimatter stars in our Galaxy. The
model of antimatter pollution of Galaxy and annihilation with matter gas is
developed. The proton-antiproton annihilation gamma flux is shown to reproduce
the observed galactic gamma background measured by EGRET. From comparison with
observational data the estimation on the maximally allowed amount of antimatter
stars, possibly present in our Galaxy, is found.Comment: LaTeX2e, 18 pages, 3 PostScript figures. Submitted to Yad.Fi
Size-dependent bandgap and particle size distribution of colloidal semiconductor nanocrystals
A new analytical expression for the size-dependent bandgap of colloidal
semiconductor nanocrystals is proposed within the framework of the finite-depth
square-well effective mass approximation in order to provide a quantitative
description of the quantum confinement effect. This allows one to convert
optical spectroscopic data (photoluminescence spectrum and absorbance edge)
into accurate estimates for the particle size distributions of colloidal
systems even if the traditional effective mass model is expected to fail, which
occurs typically for very small particles belonging to the so-called strong
confinement limit. By applying the reported theoretical methodologies to CdTe
nanocrystals synthesized through wet chemical routes, size distributions are
inferred and compared directly to those obtained from atomic force microscopy
and transmission electron microscopy. This analysis can be used as a
complementary tool for the characterization of nanocrystal samples of many
other systems such as the II-VI and III-V semiconductor materials.Comment: 9 pages, 5 figure
Possible Effects of the Existence of the 4th Generation Neutrino
The 4th generation of fermions predicted by the phenomenology of heterotic
string models can possess new strictly conserved charge, which leads, in
particular, to the hypothesis of the existence of the 4th generation massive
stable neutrino. The compatibility of this hypothesis with the results of
underground experiment DAMA searching for weakly interactive particles of dark
matter and with the EGRET measurements of galactic gamma--background at
energies above 1 GeV fixes the possible mass of the 4th neutrino at the value
about 50 GeV. The possibility to test the hypothesis in accelerator experiments
is considered. Positron signal from the annihilation of relic massive neutrinos
in the galactic halo is calculated and is shown to be accessible for planned
cosmic ray experiments.Comment: 10 pages, 4 PostScript figure, Latex2
Observation of the parallel-magnetic-field-induced superconductor-insulator transition in thin amorphous InO films
We study the response of a thin superconducting amorphous InO film with
variable oxygen content to a parallel magnetic field. A field-induced
superconductor-insulator transition (SIT) is observed that is very similar to
the one in normal magnetic fields. As the boson-vortex duality, which is the
key-stone of the theory of the field-induced SIT, is obviously absent in the
parallel configuration, we have to draw conclusion about the theory
insufficiency.Comment: 3 pages, 4 figure
Scaling analysis of the magnetic-field-tuned quantum transition in superconducting amorphous In-O films
We have studied the magnetic-field-tuned superconductor-insulator quantum
transition (SIT) in amorphous In-O films with different oxygen content and,
hence, different electron density. While for states of the film near the
zero-field SIT the two-dimensional scaling behaviour is confirmed, for deeper
states in the superconducting phase the SIT scenario changes: in addition to
the scaling function that describes the conductivity of fluctuation-induced
Cooper pairs, there emerges a temperature-dependent contribution to the film
resistance. This contribution can originate from the conductivity of normal
electrons.Comment: 4 pages, 5 figures; accepted for publication in JETP Lett. 71 (4),
200
Width of the Zero-Field Superconducting Resistive Transition in the Vicinity of the Localization Threshold
Resistive superconducting zero-field transition in amorphous In-O films in
states from the vicinity of the insulator-superconductor transition is analyzed
in terms of two characteristic temperatures: the upper one, , where the
finite amplitude of the order parameter is established and the lower one,
, where the phase ordering takes place. It follows from the
magnetoresistance measurements that the resistance in between, ,
cannot be ascribed to dissipation by thermally dissociated vortex pairs. So, it
is not Kosterlitz-Thouless-Berezinskii transition that happens at .Comment: 4 pages, 3 figure
Biotic interactions, energy pathways and trigger factors of ecosystem dynamics in shallow saline lakes
Environmental variables, food-web dynamics, and energy pathways were investigated in ecosystems of six shallow lakes of the Crimea with salinity ranging from 24 to 340‰. There were considerable inter- and intra-annual #uctuations in the abiotic characteristics of the lakes. All the lakes had a very high concentration of total phosphorus in the water (up to 5.6 gP m-3) due to a great influence of the watershed on the lakes. A high level of primary production (up to 14.9 gC m-2 d-1) was found in the most of the lakes. The lowest primary production was found in the most saline lake with a dense population of the filtrator, Artemia urmiana. Grazing benthic energy pathways were dominant at salinities between 24 and 58‰. Greater levels of salinity led to a gradual reduction of benthic and increase of planktonic energy pathways. A fast shift from turbid to the clear-water regime was observed in one of the lakes, caused by annual variations in weather conditions
- …