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research article
Temperature-induced structural transitions and vibrational properties of microclusters: ab-initio molecular dynamics studies
Ab-initio mol. dynamics studies are presented of selected microclusters of sodium, silicon and magnesium. From the anal. of the at. trajectories the authors can identify in some cases the existence of different isomers and the isomerization pathways. Vibrational spectra at low temps. are calcd.; they can be used as a very sensitive structural probe also for Na clusters, where the electronic properties are quite insensitive to the geometry. [on SciFinder (R)]
Type
research article
Authors
Publication date
1991
Volume
20
Issue
1-4
Start page
243
End page
246
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
February 27, 2006
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