2015
DOI: 10.1002/sia.5786
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Energetics and heterodiffusion of Cu on Ag(110) stepped surfaces

Abstract: A molecular-dynamics simulation study has been performed to investigate the Cu adatom diffusion on the (110) stepped surfaces of Ag, using interatomic potentials described by the embedded atom method. We have systematically calculated the energy barriers for different possible diffusion mechanisms, which occur on the terrace and near the step edge. Our findings show that the predominant atomistic diffusion process at step edge and on the terrace is the exchange mechanism with anES barrier about 220 meV lower t… Show more

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Cited by 11 publications
(1 citation statement)
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“…The EAM has been used successfully to study the heteroadsorption and diffusion on (110) and (100) surfaces , and it is validated by checking its results for diffusion barriers on the (100) surface against density‐functional theory (DFT), and it is applied again to investigate the adsorption and diffusion of Pt and Au adatoms on the different missing‐row configurations of the (110) surface for homogeneous and heterogeneous systems.…”
Section: Model System and Computational Methodologymentioning
confidence: 99%
“…The EAM has been used successfully to study the heteroadsorption and diffusion on (110) and (100) surfaces , and it is validated by checking its results for diffusion barriers on the (100) surface against density‐functional theory (DFT), and it is applied again to investigate the adsorption and diffusion of Pt and Au adatoms on the different missing‐row configurations of the (110) surface for homogeneous and heterogeneous systems.…”
Section: Model System and Computational Methodologymentioning
confidence: 99%