Related papers: Substrate-mediated interaction on Ag(111) surfaces…
Using density-functional theory with the local-density approximation and the generalized gradient approximation we compute the energy barriers for surface diffusion for Ag on Pt(111), Ag on one monolayer of Ag on Pt(111), and Ag on Ag(111).…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
Substrate strain mediated adatom configurations on Cu<111> surfaces have been simulated in a coverage range up to nearly 1 monolayer. Interacting adatoms occupy positions on a triangular lattice in two dimensions. The elastic interaction is…
An earlier model for substrate strain mediated interactions between monomer adatoms is extended to the interaction of monomers with dimers and the interaction of dimers. While monomers (sitting on high symmetric sites) are supposed to…
We describe a theoretical study of the role of adsorbate interactions in island nucleation and growth, using Ag/Pt(111) heteroepitaxy as an example. From density-functional theory, we obtain the substrate-mediated Ag adatom pair interaction…
To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as…
The structure and dynamics of atomic oxygen adsorbed on Ag(410) and Ag(210) surfaces have been investigated using density functional theory. Our results show that the adsorption configuration in which O adatoms decorate the upper side of…
Surface-state mediated interactions between adsorbates on surfaces can be exploited for the fabrication of self-organized nanostructures such as two-dimensional superlattices of adatoms. Using angle-resolved photoemission we provide…
An extended elastic eigenvector approach for adatom interactions is applied to elastically isotropic substrates. The oscillating interactions between adatom monomers or dimers are caused by strain fields in the substrate. Expansive or…
We investigate the effect of surface reconstruction and strain on diffusion of adsorbed Ge atoms on Ge$(111)\textrm{-}5\times5$ and Ge$(111)\textrm{-}7\times7$ surfaces by means of first principles calculations. Stable adsorption sites,…
We present the theory for retarded resonance interaction between two identical atoms at arbitrary positions near a metal surface. The dipole-dipole resonance interaction force that binds isotropically excited atom pairs together in free…
Lateral interactions of oxygen adatoms derived from first-principles calculations of the O-Pd(100) system had been claimed to include trio- and quattro terms beside pair interactions. This paper is dedicated to extend an earlier model for…
In biomimetic and biological systems, interactions between surfaces are often mediated by adhesive molecules, nanoparticles, or colloids dispersed in the surrounding solution. We present here a general, statistical-mechanical model for two…
We present a theory of electron-mediated interaction between adatoms in graphene. In the case of resonant scattering, relevant for hydrogentated graphene, a long-range 1/r interaction is found. This interaction can be viewed as a fermionic…
Using density-functional theory we investigate several properties of Al(111), Al(100), Al(110), and stepped Al(111) surfaces. We report results of formation energies of surfaces, steps, adatoms, and vacancies. For the adsorption and…
Substrate strain mediated adatom density distributions have been calculated for Cu<111> surfaces. Complemented by Monte Carlo calculations a hexagonal close packaged adatom superlattice in a coverage range up to 0.045 ML is derived.…
The surface segregation of indium atoms in InGaAs is investigated using first-principles calculations based on density functional theory. Through the calculation of segregation energies for (100), (110), and (111) surfaces of GaAs we…
In this work we obtain analytical expressions for the non-additivity effects in the dispersive interaction between two atoms and perfectly conducting surface of arbitrary shape in the non-retarded regime. We show that this three bodies…
First-principles calculations are used to calculate the strain dependencies of the binding and diffusion-activation energies for Ge adatoms on both Si(001) and Ge(001) surfaces. Our calculations reveal that the binding and activation…
A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of different materials. Aluminum (Al) and titanium nitride…