Related papers: The crossover from collective motion to periphery …
An extended elastic eigenvector approach for adatom interactions is applied to model Nitrogen c(2x2) Atom islands on Cu(001). Oscillating interactions between adatom monomers or dimers are considered. Attractive pair interactions of adatoms…
Nucleation on top of two-dimensional islands with step edge barriers is investigated using scaling arguments. The nucleation rate is expressed in terms of three basic time scales: The time interval between deposition events, the residence…
We use Monte-Carlo simulations to study island formation in the growth of thin semiconducting films deposited on lattice-mismatched substrates. It is known that islands nucleate with critical nuclei of about one atom and grow two…
We present a novel way of performing kinetic Monte Carlo simulations which does not require an {\it a priori} list of diffusion processes and their associated energetics and reaction rates. Rather, at any time during the simulation,…
The effect of edge and corner diffusions on the morphology and on the density of islands nucleated irreversibly on a flat substrate surface is studied. Without edge and corner diffusion, islands are fractal. As an edge diffusion constant…
Growth of atomic indium chains - 1D islands - on the Si(100)-2x1 surface was observed by scanning tunneling microscopy (STM) at room temperature and simulated by means of a kinetic Monte Carlo method. Density of indium islands and island…
We consider two sequential models of deposition and aggregation for particles. The first model (No Diffusion) simulates surface diffusion through a deterministic capture area, while the second (Sequential Diffusion) allows the atoms to…
We consider the influence of realistic island diffusion rates to homoepitaxial growth on metallic surfaces using a recently developed rate equation model which describes growth in the submonolayer regime with hyperthermal deposition. To…
We present here a summary of some recent techniques used for atomistic studies of thin film growth and morphological evolution. Specific attention is given to a new kinetic Monte Carlo technique in which the usage of unique labeling schemes…
Lattice mismatch of Cu on Ag(111) produces fast diffusion for special "magic sizes" of islands. A size- and shape-dependent reptation mechanism is responsible for low diffusion barriers. Initiating the reptation mechanism requires a…
We investigate the kinetics of submonolayer epitaxial growth which is driven by a fixed flux of monomers onto a substrate. Adatoms diffuse on the surface, leading to irreversible aggregation of islands. We also account for the effective…
We study the relaxation to equilibrium of two dimensional islands containing up to 20000 atoms by Kinetic Monte Carlo simulations. We find that the commonly assumed relaxation mechanism - curvature-driven relaxation via atom diffusion -…
Simulations of irreversible growth of extended (fractal and square) islands with critical island sizes i=1 and 2 are performed in broad ranges of coverage \theta and diffusion-to-deposition ratios R in order to investigate scaling of island…
In this comprehensive and detailed study, vacancy-mediated self-diffusion of A- and B-elements in 'triple-defect' B2-ordered ASB(1-S) binaries is simulated by means of a kinetic Monte Carlo (KMC) algorithm involving atomic jumps to…
Vacancy-mediated diffusion of an Al atom in pure Mg matrix is studied using the atomistic, on-lattice self-learning kinetic Monte Carlo (SLKMC) method. Activation barriers for vacancy-Mg and vacancy-Al atom exchange processes are calculated…
Monte Carlo simulations of an atomistic solid-on-solid model are used to study the effect of lattice misfit on the distribution of two-dimensional islands sizes as a function of coverage $\Theta$ in the submonolayer aggregation regime of…
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…
The results of a density-functional-theory study of the formation energies of (100)- and (111)-faceted steps on the Pt(111) surface, as well as of the barrier for diffusion of an adatom on the flat surface, are presented. The step formation…
The steering effect on the growth of islands is investigated by combining molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations. Dynamics of depositing atoms and kinetics of atoms on a substrate are realized by MD and KMC,…
Deposition/removal of metal atoms on the hex reconstructed (100) surface of Au, Pt and Ir should present intriguing aspects, since a new island implies hex -> square deconstruction of the substrate, and a new crater the square -> hex…