(University of Eloued جامعة الوادي, 2018-02-05) Benaida, M.; Aiadi, K.E.; Mahtout, S.; Bentouila, O.; Djaadi, S.
The lowest energy structures of Gen (n=2–30) clusters are obtained using the first principles
pseudopotential simulated annealing within the generalized gradient approximation (GGA) of
density functional implemented in SIESTA method. New low-energy structures are obtained
for each cluster size. The optimized clusters reveal that the most stable structures and their
corresponding isomers have three dimensional configurations. The relative stabilities in terms
of the binding energies, fragmentation energies and second-order difference of energies for all
Gen (n=2–30) structures have also been investigated and discussed.
