Motion and conversion energies of ad-atom, di-adatom and tri-adatoms on copper (0 0 1) surface
Review articleOpen access
Abstract:

AbstractBeginning of epitaxial growth of vapor deposition on (0 0 1) surface has been studied by use of molecular dynamics. The activation energies of motion and conversion have been calculated using an embedded atom potential at all temperatures. The activation energy of the motion of an ad-atom on (0 0 1) of copper is calculated to be 0.48 eV. The activation energy of dissociation in the direction of a di-adatom is 0.83 eV, and 0.55 eV from the nearest neighbor to the next nearest neighbor. Tri-adatoms are classified by the angle between the two bonds in the ad-atoms and the lengths of the two bonds. The conversion energies of tri-adatoms have also been calculated. The activation energy for the motion of an ad-atom on (0 0 1) is much higher than those corresponding values of the motion on (1 1 1) planes.

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