Electronic-structure-induced deformations of liquid metal clusters
classification
mtrl-th
cond-mat.mtrl-sci
keywords
liquidclustersdeformationsstatecdotsclosed-shellclusterdeformation
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Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures $500\cdots 1100$ K. Open-shell Na$_{14}$ cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by opening a gap at the Fermi level. The closed-shell Na$_8$ remains magic also at the liquid state.
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