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- Seitenbereich
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0035 - 0044
- Schlagwort(e)
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<KWD>Bimetallic
Clusters
Liquids
- Zusammenfsg.
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Calculations are reported of the total energies and related quantities of sequences of small clusters of the form A<sub><I>m</I></sub> Pb<sub><I>n</I></sub>, where A is an alkali atom, <I>n</I> <6 and <I>m</I> < 9. The object of this study is to shed light on the stoichiometry and the possible formation of complexes in A-Pb liquid alloys. The calculations are performed using empty core pseudopotentials and the spherical average approximation for the cluster. The results are insensitive to the choice of alkali atom apart from a smooth trend with the progression from Li to Cs. The calculated total energies suggest that clusters with compositions A<sub>4</sub>Pb and A<sub>4</sub>Pb<sub>4</sub> are very stable against a change in the number of Pb or A atoms and support the possibility of these clusters forming in the liquid alloys. This stability arises from an electronic shell-closing effect.
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