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

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

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

3D-2D crossover in the naturally layered superconductor (LaSe)1.14(NbSe2)

The temperature and angular dependencies of the resistive upper critical magnetic field $B_{c2}$ reveal a dimensional crossover of the superconducting state in the highly anisotropic misfit-layer single crystal of (LaSe)$_{1.14}$(NbSe$_2$) with the critical temperature $T_c$ of 1.23 K. The temperature dependence of the upper critical field $B_{c2\parallel ab}(T)$ for a field orientation along the conducting $(ab)$-planes displays a characteristic upturn at 1.1 K and below this temperature the angular dependence of $B_{c2}$ 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