Titlebook: Atomistic Aspects of Epitaxial Growth; Miroslav Kotrla,Nicolas I. Papanicolaou,Luc T. Wil Book 2002 Springer Science+Business Media Dordre

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Vibrational and Structural Properties of the Nb (001) Surface With and Without a Nb Adatom by Tight-xed system are in good agreement with the available experimental and theoretical data. From the calculated phonon density of states, we found that the bulk phonon mode around 6.4 THz is altered by the presence of the surface, indicating looser coupling between the surface and the bulk atoms. Further

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Adatoms and Vacancies on A3B(001) Surfaces dynamics. For both materials, we found that the low-energy vibrations of the clean ordered surface and of adatoms are due mainly to the heavier atom and that the surfaces are rumpled. We also found that the behavior of the adatoms is marked by the availability of two equilibrium positions: one over

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Long-Time-Scale Simulations of Al(100) Crystal Growthethod based on harmonic transition state theory. Atoms are deposited using classical dynamics over a time interval of a few picoseconds, but once the system has thermalized, the long time interval in between deposition events, a millisecond, is simulated using an extension of the kinetic Monte Carlo

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Island Nucleation in Metal Thin-Film Growthms do not extend beyond the short range and that deposited atoms remain on top of the substrate, among other things, these equations can be solved to yield a scaling relationship that predicts the density of stable islands as a function of the deposition rate and the diffusivity of an isolated adato

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Capture-Numbers and Island Size-Distributions in Irreversible Homoepitaxial Growth: A Rate Equation lation between the size of an island and the corresponding average capture zone. It is shown that this leads to capture numbers which depend explicitly on the island-size, and excellent agreement with experimental and Monte Carlo results is found for this size-dependence. Consequently, the predictio

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Growth of an Anisotropic Surface: The Case of Ag/Ag(110)e Carlo simulations. The model displays islands and ripples rotation in the submonolayer and multilayer regimes, respectively, in quantitative agreement with the experimental results. Moreover, the model allows the singling out of the key microscopic mechanisms underlying the phenomenology.