Abstract
Results of a theoretical study of the lowest-energy structures of (KCs)n and (RbCs)n bimetallic clusters with N=2n up to 50 atoms are presented. We observed the presence of a dominant structural motif, the fivefold pancake, in the structural evolution of the binary (KCs)n and (RbCs)n clusters with size. Moreover, the bimetallic clusters display a much more regular growth behaviour compared to that of the monoatomic KN, RbN and CsN clusters. The obtained geometries belong to a family of pIh structures reported recently for series of binary transition metal clusters.
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Hristova, E., Grigoryan, V. & Springborg, M. Theoretical study on the structural properties of alkali-metal heteroclusters. Eur. Phys. J. D 52, 35–38 (2009). https://doi.org/10.1140/epjd/e2009-00007-y
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DOI: https://doi.org/10.1140/epjd/e2009-00007-y