1,223 research outputs found
Can CP-violation be observed in heavy-ion collisions?
We demonstrate that, at least at present, there is no convincing way to
detect CP-violation in heavy-ion collisions.Comment: 3 pages, 1 figure; reference added, misprint correcte
Evolution of thick domain walls in inflationary and universe
We study the evolution of thick domain walls in the different models of
cosmological inflation, in the matter-dominated and radiation-dominated
universe, or more generally in the universe with the equation of state
. We have found that the domain wall evolution crucially depends on
the time-dependent parameter , where is the
Hubble parameter and is the thickness of the wall in flat
space-time. For the physical thickness of the wall, ,
tends with time to , which is microscopically small. Otherwise, when
, the wall steadily expands and can grow up to a cosmologically
large size.Comment: 15 pages, 9 figure
Upper limits on electric dipole moments of tau-lepton, heavy quarks, and W-boson
We discuss upper limits on the electric dipole moments (EDM) of the
tau-lepton, heavy quarks, and W-boson, which follow from the precision
measurements of the electron and neutron EDM.Comment: 8 pages, 7 figures; misprint corrected, results do not chang
An ab-initio study of the electron-phonon coupling within a Cr(001)-surface
It is experimentally well established that the Cr(001)-surface exhibits a
sharp resonance around the Fermi level. However, there is no consensus about
its physical origin. It is proposed to be either due to a single particle dz2
surface state renormalised by electron-phonon coupling or the orbital Kondo
effect involving the degenerate dxz/dyz states. In this work we examine the
electron-phonon coupling of the Cr(001)-surface by means of ab-initio
calculations in the form of density functional perturbation theory. More
precisely, the electron-phonon mass-enhancement factor of the surface layer is
investigated for the 3d states. For the majority and minority spin dz2 surface
states we find values of 0.19 and 0.16. We show that these calculated
electron-phonon mass-enhancement factors are not in agreement with the
experimental data even if we use realistic values for the temperature range and
surface Debye frequency for the fit of the experimental data. More precisely,
then experimentally an electron-phonon mass-enhancement factor of 0.70~0.10 is
obtained, which is not in agreement with our calculated values of 0.19 and
0.16. Therefore, we conclude that the experimentally observed resonance at the
Cr(001)-surface is not due to polaronic effects, but due to electron-electron
correlation effects
Excitonic Instability and Pseudogap Formation in Nodal Line Semimetal ZrSiS
Electron correlation effects are studied in ZrSiS using a combination of
first-principles and model approaches. We show that basic electronic properties
of ZrSiS can be described within a two-dimensional lattice model of two nested
square lattices. High degree of electron-hole symmetry characteristic for ZrSiS
is one of the key features of this model. Having determined model parameters
from first-principles calculations, we then explicitly take electron-electron
interactions into account and show that at moderately low temperatures ZrSiS
exhibits excitonic instability, leading to the formation of a pseudogap in the
electronic spectrum. The results can be understood in terms of
Coulomb-interaction-assisted pairing of electrons and holes reminiscent to that
of an excitonic insulator. Our finding allows us to provide a physical
interpretation to the unusual mass enhancement of charge carriers in ZrSiS
recently observed experimentally.Comment: 6 pages, 4 figures. Final versio
Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective
In this work, we investigate the adsorption of a single cobalt atom (Co) on
graphene by means of the complete active space self-consistent field approach,
additionally corrected by the second-order perturbation theory. The local
structure of graphene is modeled by a planar hydrocarbon cluster
(CH). Systematic treatment of the electron correlations and the
possibility to study excited states allow us to reproduce the potential energy
curves for different electronic configurations of Co. We find that upon
approaching the surface, the ground-state configuration of Co undergoes several
transitions, giving rise to two stable states. The first corresponds to the
physisorption of the adatom in the high-spin ()
configuration, while the second results from the chemical bonding formed by
strong orbital hybridization, leading to the low-spin () state.
Due to the instability of the configuration, the adsorption energy of Co
is small in both cases and does not exceed 0.35 eV. We analyze the obtained
results in terms of a simple model Hamiltonian that involves Coulomb repulsion
() and exchange coupling () parameters for the 3 shell of Co, which we
estimate from first-principles calculations. We show that while the exchange
interaction remains constant upon adsorption ( eV), the Coulomb
repulsion significantly reduces for decreasing distances (from 5.3 to
2.60.2 eV). The screening of favors higher occupations of the 3
shell and thus is largely responsible for the interconfigurational transitions
of Co. Finally, we discuss the limitations of the approaches that are based on
density functional theory with respect to transition metal atoms on graphene,
and we conclude that a proper account of the electron correlations is crucial
for the description of adsorption in such systems.Comment: 12 pages, 6 figures, 2 table
Interfacial interactions between local defects in amorphous SiO and supported graphene
We present a density functional study of graphene adhesion on a realistic
SiO surface taking into account van der Waals (vdW) interactions. The
SiO substrate is modeled at the local scale by using two main types of
surface defects, typical for amorphous silica: the oxygen dangling bond and
three-coordinated silicon. The results show that the nature of adhesion between
graphene and its substrate is qualitatively dependent on the surface defect
type. In particular, the interaction between graphene and silicon-terminated
SiO originates exclusively from the vdW interaction, whereas the
oxygen-terminated surface provides additional ionic contribution to the binding
arising from interfacial charge transfer (-type doping of graphene). Strong
doping contrast for the different surface terminations provides a mechanism for
the charge inhomogeneity of graphene on amorphous SiO observed in
experiments. We found that independent of the considered surface morphologies,
the typical electronic structure of graphene in the vicinity of the Dirac point
remains unaltered in contact with the SiO substrate, which points to the
absence of the covalent interactions between graphene and amorphous silica. The
case of hydrogen-passivated SiO surfaces is also examined. In this
situation, the binding with graphene is practically independent of the type of
surface defects and arises, as expected, from the vdW interactions. Finally,
the interface distances obtained are shown to be in good agreement with recent
experimental studies.Comment: 10 pages, 4 figure
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