17 research outputs found
Determination of step--edge barriers to interlayer transport from surface morphology during the initial stages of homoepitaxial growth
We use analytic formulae obtained from a simple model of crystal growth by
molecular--beam epitaxy to determine step--edge barriers to interlayer
transport. The method is based on information about the surface morphology at
the onset of nucleation on top of first--layer islands in the submonolayer
coverage regime of homoepitaxial growth. The formulae are tested using kinetic
Monte Carlo simulations of a solid--on--solid model and applied to estimate
step--edge barriers from scanning--tunneling microscopy data on initial stages
of Fe(001), Pt(111), and Ag(111) homoepitaxy.Comment: 4 pages, a Postscript file, uuencoded and compressed. Physical Review
B, Rapid Communications, in press
Simulations of energetic beam deposition: from picoseconds to seconds
We present a new method for simulating crystal growth by energetic beam
deposition. The method combines a Kinetic Monte-Carlo simulation for the
thermal surface diffusion with a small scale molecular dynamics simulation of
every single deposition event. We have implemented the method using the
effective medium theory as a model potential for the atomic interactions, and
present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to
35 eV. The method is capable of following the growth of several monolayers at
realistic growth rates of 1 monolayer per second, correctly accounting for both
energy-induced atomic mobility and thermal surface diffusion. We find that the
energy influences island and step densities and can induce layer-by-layer
growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag),
which correlates with where the net impact-induced downward interlayer
transport is at a maximum. A high step density is needed for energy induced
layer-by-layer growth, hence the effect dies away at increased temperatures,
where thermal surface diffusion reduces the step density. As part of the
development of the method, we present molecular dynamics simulations of single
atom-surface collisions on flat parts of the surface and near straight steps,
we identify microscopic mechanisms by which the energy influences the growth,
and we discuss the nature of the energy-induced atomic mobility
Adatom diffusion on vicinal surfaces with permeable steps
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 can do many attempts before that. Increasing the probability of step
permeability or the kink spacing lead to increase of the number of steps
crossed before incorporation of the atoms into kink sites. The asymmetry of the
attachment-detachment kinetics (Ehrlich-Schwoebel effect) suppresses the step
permeability and completely eliminates it in the extreme case of infinite
Ehrlich-Schwoebel barrier. The average number of permeability events per atom
scales with the average kink spacing. A negligibly small drift of the adatoms
in a direction perpendicular to the steps leads to a significant asymmetry of
the distribution of the permeability events the atoms thus visiting more
distant steps in the direction of the drift.Comment: 12 pages, 6 figure
Self-diffusion along step bottoms on Pt(111)
First-principles total energies of periodic vicinals are used to estimate barriers for Pt-adatom diffusion along straight and kinked steps on Pt(111), and around a corner where straight steps intersect. In all cases studied, hopping diffusion has a lower barrier than concerted substitution. In conflict with simulations of dendritic Pt island formation on Pt(111), hopping from a corner site to a step whose riser is a (111)-micro facet is predicted to be more facile than to one whose riser is a (100)