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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 states were calculated using real space Green’s function formalism and the thermodynamical functions were evaluated in the harmonic approximation. The calculated...
Using total energy calculations, based on interaction potentials from the embedded atom method, we show that the presence of the tip not only lowers the barrier for lateral diffusion of the adatom towards it, but also shifts the corresponding saddle point. For a Cu adatom at a (100)-microfacetted step on Cu(111) this shift is 0.6 Å. The effect of the tip geometry and shape on the energetics of lateral...
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