0000000001101260

AUTHOR

J. Heinonen

showing 3 related works from this author

Effect of kinks and concerted diffusion mechanisms on mass transport and growth on stepped metal surfaces

1997

Abstract We study the effect of kinks and concerted atomic mechanisms on diffusion processes relevant to metal-on-metal homoepitaxy on fcc metal surfaces vicinal to the fcc (100) direction. First, we carry out extensive finite-temperature molecular dynamics simulations based on the effective medium theory to search for diffusion mechanisms that dominate the mass transport perpendicular and parallel to step edges. Then, the energetics of these processes are studied by ground state calculations. Our results show that kinks play an important role for diffusion both across and along step edges. In particular, the combined effect of kinks and concerted exchange is found to be able to remove loca…

Surface diffusionChemistryCrystal growthSurfaces and InterfacesCondensed Matter PhysicsSurfaces Coatings and FilmsMolecular dynamicsComputational chemistryChemical physicsMaterials ChemistryPerpendicularDiffusion (business)Ground stateVicinalMolecular beam epitaxySurface Science
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Island Diffusion on Metal fcc (100) Surfaces

1999

We present Monte Carlo simulations for the size and temperature dependence of the diffusion coefficient of adatom islands on the Cu(100) surface. We show that the scaling exponent for the size dependence is not a constant but a decreasing function of the island size and approaches unity for very large islands. This is due to a crossover from periphery dominated mass transport to a regime where vacancies diffuse inside the island. The effective scaling exponents are in good agreement with theory and experiments.

Surface (mathematics)Condensed Matter - Materials ScienceMaterials scienceCondensed matter physicsPhysicsCrossoverMonte Carlo methodMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciencesGeneral Physics and Astronomyfcc(100) surfaceFunction (mathematics)Monte Carlo simulationsadatomAlisland diffusionExponentDiffusion (business)Constant (mathematics)ScalingCuPhysical Review Letters
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Adatom Island Diffusion on Metal Fcc(100) Surfaces

2001

We study the energetics and atomic mechanisms of diffusion of adatom islands on fcc(100) metal surfaces. For small islands, we perform detailed microscopic calculations using semi-empirical embedded-atom model and glue potentials in the case of Cu and Al, respectively. Combining systematic saddle-point search methods and molecular statics simulations allows us to find all the relevant transition paths for island motion. In particular, we demonstrate that there are novel many-body mechanisms such as internal row shearing which can, in some cases, control the island dynamics. Next, we show how using the master equation formalism, diffusion coefficients for small islands up to about five atoms…

Condensed matter physicsChemistryMonte Carlo methodCrossoverEnergeticsMolecular statics02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesMetalvisual_art0103 physical sciencesMaster equationvisual_art.visual_art_mediumKinetic Monte Carlo010306 general physics0210 nano-technologySaddle
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