MOLECULAR-DYNAMICS OF SI CLUSTERS .2. SI CLUSTERS AT FINITE TEMPERATURES

Citation
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
ISSN journal
09429352
Volume
187
Year of publication
1994
Part
1
Pages
45 - 59
Database
ISI
SICI code
0942-9352(1994)187:<45:MOSC.S>2.0.ZU;2-D
Abstract
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.