Related papers: Adsorbate-induced substrate relaxation and the ads…
We develop a theoretical framework to understand the preparation and relaxation of a metastable Mott insulator state within the first excited band of a 1D optical lattice. The state is loaded by "lifting" atoms from the ground to the first…
Structure of monolayers built during adsorption process is strongly related to the properties of adsorbed particles. The most important factor is their shape. For example, adsorption of elongated molecules on patterned surfaces may produce…
We study the behaviour of an ultracold atomic gas of bosons in a bichromatic lattice, where the weaker lattice is used as a source of disorder. We numerically solve a discretized mean-field equation, which generalizes the one-dimensional…
The monolayer adsorption process of interacting binary mixtures of species $A$ and $B$ on square lattices is studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. Four different energies have been…
In this work, we study the cobalt radical interface obtained by depositing a monolayer of a derivative of the Blatter radical on polycrystalline cobalt. By examining the occupied and unoccupied states at the interface, using soft X-ray…
We present a new model of plasma-condensate system, by taking into account an anisotropy of transference reactions of adatoms between neighbor layers of multi-layer system, caused by the strength of the electric field near substrate. We…
The time-dependent, mean-field Newns-Anderson model for a spin-polarised adsorbate approaching a metallic surface is solved in the wide-band limit. Equations for the time-evolution of the electronic structure of the adsorbate-metal system…
First-principles calculations using density functional theory and two methods in comparison, Quantum ESPRESSO and Siesta, are done on large supercells which describe different placements of two identical adsorbed alkali metal atoms (of…
The effect of an oscillating electric field normal to a metallic surface may be described by an effective potential. This induced potential is calculated using semiclassical variants of the random phase approximation (RPA). Results are…
We analyze theoretically complete wetting of a substrate supporting an array of parallel, vertical plates which can tilt elastically. The adsorbed liquid tilts the plates, inducing clustering, and thus modifies the substrate geometry. In…
Electromagnetic fluctuation-induced forces between atoms and surfaces are generally known as Casimir-Polder interactions. The exact knowledge of these forces is rapidly becoming important in modern experimental set-ups and for technological…
In this work, we have studied theoretically the effects of gold adsorption on the Al(001) surface, using {\it ab initio} pseudo-potential method in the framework of the density functional theory. Having found the hollow sites at the Al(001)…
Inelastic electron scattering by the adsorbate covered Pt(100) single crystal surface is studied by Disappearance Potential Spectroscopy and density of states (DOS) calculations. Two peculiar channels of elastic electron consumption are…
We have theoretically studied the effect of disorder on ultracold alkaline-earth atoms governed by the Kondo lattice model in an optical lattice via simplified double-well model and hybridization mean-field theory. Disorder-induced…
We introduce a method for the dissipative preparation of strongly correlated quantum states of ultracold atoms in an optical lattice via localized particle loss. The interplay of dissipation and interactions enables different types of…
Using an adiabatic approximation method, which searches for Tomlinson model-like instabilities for a simple but still realistic model for two crystalline surfaces in the extremely light contact limit, with mobile molecules present at the…
In superconductors penetrated by Abrikosov vortices the magnetic pressure and the inhomogeneous condensate density induce a deformation of the ionic lattice. We calculate how this deformation corrugates the surface of a semi-infinite…
Using first-principles calculations, we systematically study the adsorption behaviors of molecular CO on the Be (0001) surface. By calculating the potential energy surfaces, we find that CO molecularly adsorbs on the Be surface with small…
The Casimir-Polder-Lifshitz force felt by an atom near the surface of a substrate is calculated out of thermal equilibrium in terms of the dielectric function of the material and of the atomic polarizability. The new force decays like…
The present work involves the discrete modelling of corrosion induced cracking and its influence on the bond between reinforcement and concrete. A lattice approach is used to describe the mechanical interaction of a corroding reinforcement…