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Small Al clusters on the Cu(111) surface: Atomic relaxation and vibrational properties

AuthorsRusina, G. G.; Borisova, S. D.; Chulkov, Eugene V.
Issue DateJan-2010
CitationRussian Journal of Physical Chemistry A, Focus on Chemistry 84(11): 1934-1938 (2010)
AbstractThe relaxation and vibrational properties of both Al clusters and the (111) surface of a copper sub-strate were studied using the interatomic interaction potentials obtained in a tight-binding approximation. The presence of small aluminum clusters led to modification of the vibrational states of the substrate, a shift of the Rayleigh mode, and excitation of new Z-polarized modes. Hybridized modes localized on the cluster adatoms and the neighboring atoms of the substrate were found in the phonon spectrum. The localized dipole-active modes of the cluster and their strong hybridization with vibrations of the substrate points to desorption stability of the tri- and heptaatomic clusters.
Description5 páginas.
Publisher version (URL)http://dx.doi.org/10.1134/S0036024410110208
Appears in Collections:(CFM) Artículos
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