18,703 research outputs found
Island formation without attractive interactions
We show that adsorbates on surfaces can form islands even if there are no
attractive interactions. Instead strong repulsion between adsorbates at short
distances can lead to islands, because such islands increase the entropy of the
adsorbates that are not part of the islands. We suggest that this mechanism
cause the observed island formation in O/Pt(111), but it may be important for
many other systems as well.Comment: 11 pages, 4 figure
Energy dissipation and scattering angle distribution analysis of the classical trajectory calculations of methane scattering from a Ni(111) surface
We present classical trajectory calculations of the rotational vibrational
scattering of a non-rigid methane molecule from a Ni(111) surface. Energy
dissipation and scattering angles have been studied as a function of the
translational kinetic energy, the incidence angle, the (rotational) nozzle
temperature, and the surface temperature. Scattering angles are somewhat
towards the surface for the incidence angles of 30, 45, and 60 degree at a
translational energy of 96 kJ/mol. Energy loss is primarily from the normal
component of the translational energy. It is transfered for somewhat more than
half to the surface and the rest is transfered mostly to rotational motion. The
spread in the change of translational energy has a basis in the spread of the
transfer to rotational energy, and can be enhanced by raising of the surface
temperature through the transfer process to the surface motion.Comment: 8 pages REVTeX, 5 figures (eps
Ten-dimensional wave packet simulations of methane scattering
We present results of wavepacket simulations of scattering of an oriented
methane molecule from a flat surface including all nine internal vibrations. At
a translational energy up to 96 kJ/mol we find that the scattering is almost
completely elastic. Vibrational excitations when the molecule hits the surface
and the corresponding deformation depend on generic features of the potential
energy surface. In particular, our simulation indicate that for methane to
dissociate the interaction of the molecule with the surface should lead to an
elongated equilibrium C--H bond length close to the surface.Comment: RevTeX 15 pages, 3 eps figures: This article may be found at
http://link.aip.org/link/?jcp/109/1966
3D-2D crossover in the naturally layered superconductor (LaSe)1.14(NbSe2)
The temperature and angular dependencies of the resistive upper critical
magnetic field reveal a dimensional crossover of the superconducting
state in the highly anisotropic misfit-layer single crystal of
(LaSe)(NbSe) with the critical temperature of 1.23 K. The
temperature dependence of the upper critical field for
a field orientation along the conducting -planes displays a
characteristic upturn at 1.1 K and below this temperature the angular
dependence of has a cusp around the parallel field orientation. Both
these typical features are observed for the first time in a naturally
crystalline layered system.Comment: 7 pages incl. 3 figure
Ab-initio coupled-cluster effective interactions for the shell model: Application to neutron-rich oxygen and carbon isotopes
We derive and compute effective valence-space shell-model interactions from
ab-initio coupled-cluster theory and apply them to open-shell and neutron-rich
oxygen and carbon isotopes. Our shell-model interactions are based on
nucleon-nucleon and three-nucleon forces from chiral effective-field theory. We
compute the energies of ground and low-lying states, and find good agreement
with experiment. In particular our calculations are consistent with the N=14,
16 shell closures in oxygen-22 and oxygen-24, while for carbon-20 the
corresponding N=14 closure is weaker. We find good agreement between our
coupled-cluster effective-interaction results with those obtained from standard
single-reference coupled-cluster calculations for up to eight valence neutrons
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