Related papers: Calculated Schwoebel barriers on Si(111) steps usi…
Motivated by our previous work using the Stillinger-Weber potential, which shows that the [$\overline{2}11$] step on 1$\times$1 reconstructed Si(111) has a Schwoebel barrier of 0.61$\pm$0.07 eV, we calculate here the same barrier…
This study presents a comprehensive and innovative exploration of how the surface potential energy landscape influences meander formation. Using the Vicinal Cellular Automaton model, which distinguishes surface diffusion from adatom…
We examine the step dynamics in a 1+1 dimensional model of epitaxial growth based on the BCF-theory. The model takes analytically into account the diffusion of adatoms, an incorporation mechanism and an Ehrlich-Schwoebel barrier at step…
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…
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…
Using the plane wave pseudopotential method we performed density functional theory calculations on the stability of steps and self-diffusion processes on Ag(100). Our calculated step formation energies show that the {111}-faceted step is…
We performed molecular statics calculations of energy barriers for adatom moves in the vicinity of steps on Pt(111) surface. We used the semi-empirical many-body Rosato--Guillope--Legrand potential and we systematically calculated barriers…
The quasistatic approximation is a useful but questionable simplification for analyzing step instabilities during the growth/evaporation of vicinal surfaces. Using this approximation, we characterized in Part I of this work the effect on…
The meander instability of a vicinal surface growing under step flow conditions is studied within a solid-on-solid model. In the absence of edge diffusion the selected meander wavelength agrees quantitatively with the continuum linear…
Stepped GaN(0001) surface is studied by the kinetic Monte Carlo method and compared with the model based on Burton-Carbera-Frank equations. Successive stages of surface pattern evolution during high temperature sublimation process are…
We studied the step dynamics during crystal sublimation and growth in the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps. For this limit we formulate a model free of the quasi-static…
We study the behavior of single atoms on an infinite vicinal surface assuming certain degree of step permeability. Assuming complete lack of re-evaporation an ruling out nucleation the atoms will inevitably join kink sites at the steps but…
This work provides a ground for a quantitative interpretation of experiments on step bunching during sublimation of crystals with a pronounced Ehrlich-Schwoebel (ES) barrier in the regime of weak desorption. A strong step bunching…
We study the evolution of step bunches on vicinal surfaces using a thermodynamically consistent step-flow model that (i) circumvents the quasistatic approximation that prevails in the literature by accounting for the dynamics of adatom…
We present results for collective diffusion of adatoms on a stepped substrate with a submonolayer coverage. We study the combined effect of the additional binding at step edge, the Schwoebel barrier, the enhanced diffusion along step edges,…
We studied the step dynamics during sublimation and growth in the presence of electromigration force acting on the adatoms. In the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps we formulate a…
Energy barriers for different moves of a single Rh adatom in the vicinity of steps on Rh(111) surface are studied with molecular statics. Interatomic interactions are modeled by the semi-empirical many-body Rosato-Guillope-Legrand…
Epitaxial growth on a surface vicinal to a high-symmetry crystallographic plane occurs through the propagation of atomic steps, a process called step-flow growth. In some instances, the steps tend to form close groups (or bunches), a…
The step edge barrier of a prototypical organic semiconductor molecule, 3,4,9,10-perylene-tetracaboxylic-dianhydride (PTCDA) has been analysed by means of calculations based on emperical potentials. The minimum energy path (MEP) has been…
We have calculated the vibrational dynamics and thermodynamics for Cu adatom hopping on terraces and near step edges on Cu(100) and Cu(110), using the embedded atom method for the interatomic potential. The local vibrational densities of…