Abstract
A spherical average pseudopotential method (SAPS) is used to investigate some properties of compound alkali clusters. The effect that the substitution of a Sodium atom by a Lithium atom in a Nan cluster has on the stabilities and geometries is studied for n ≤ 21. We have found that substitution is always energetically possible. On the other hand equiatomic Na n Cs n clusters are considered in the size range n ≤ 16. We find a strong segregation effect of the Cesium atoms towards the cluster surface. This agrees with what happens in liquid Na x Cs1−x alloys.
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López, M.J., Mañanes, A., Alonso, J.A., Iñiguez, M.P. (1989). Enrichment and segregation in alkali heteroclusters. In: Chapon, C., Gillet, M.F., Henry, C.R. (eds) Small Particles and Inorganic Clusters. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-74913-1_54
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DOI: https://doi.org/10.1007/978-3-642-74913-1_54
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