T. Mittelbach et al., MOLECULAR-DYNAMICS OF SI CLUSTERS .2. SI CLUSTERS AT FINITE TEMPERATURES, Zeitschrift für physikalische Chemie, 187, 1994, pp. 45-59
Citations number
18
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
A molecular-dynamics study has been performed to investigate SiN clust
ers (N = 5 - 14, 26), using the three-body interaction potential of Le
nnard-Jones/Axilrod-Teller. Starting from the ground-state structures
with increasing temperature there are changes between different solid-
like structures as well as transitions from the solid-like to the liqu
id-like state to be observed. The melting temperature depends on the c
luster size. The ''magic numbers'' 6 and 1 0 are to be observed not on
ly at T = 0 K but also at higher temperatures as excellently stable.