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Published online by Cambridge University Press: 15 February 2011
We present atomistic calculations for the system In on Cu (100), using the atom-embedding model of Finnis and Sinclair. It was found that the energy banier for Cu adatoms to jump off a descending step is higher than the adatom migration energy, i.e. descending steps form an additional barrier for diffusion. The presence of In atoms at or in step edges or island edges drastically reduces the energy barrier for interlayer diffusion of Cu adatoms. Therefore, we predict that In atoms may be used as surfactants to improve the homoepitaxial growth of Cu on Cu (100), especially in the temperature range between 150 and 200 K.