@article {507, title = {Structure and dynamics of Al trimer on Al(111) surface}, journal = {Surface Review and Letters}, volume = {6}, number = {5}, year = {1999}, note = {

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}, month = {Oct}, pages = {787-792}, type = {Article; Proceedings Paper}, abstract = {

{

Trimer is the smallest cluster that can have a one-dimensional or a two-dimensional structure on fee (111) surface. Using first-principles density-functional-theory calculations, the structural and dynamical properties of Al trimer on Al(111) surface have been studied in detail. Al trimer on Al(111) surface has four close-packed (compact) triangular configurations, two linear configurations, and some other noncompact triangular configurations. The close-packed triangular trimers are more stable than the noncompact triangular trimers as well as the linear trimers. For the dynamics of Al trimer on Al(111) surface, the diffusion processes are much more complicated than the adatom and dimer diffusions. There are three different kinds of diffusion mechanisms: concerted translations and rotation of compact triangular trimers (the energy barrier

}, keywords = {CLUSTERS, DIFFUSION, METALS, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET}, isbn = {0218-625X}, url = {://WOS:000086254800030}, author = {Chang, C. M. and Wei, C. M.} }