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research article
Ab-initio molecular dynamics studies of magnesium-doped sodium clusters
Structural, electronic, and vibrational properties of NanMg clusters (n = 6-9, 18) have been detd. using the Car-Parrinello method. We find that in the energetically preferred structures the magnesium impurity is never located at the center of the cluster. The validity of spherical jellium models and the effects of temp. are discussed. [on SciFinder (R)]
Type
research article
Authors
Publication date
1992
Published in
Volume
6
Issue
23-24
Start page
3675
End page
9
Peer reviewed
REVIEWED
Written at
EPFL
EPFL units
Available on Infoscience
February 27, 2006
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