2006
DOI: 10.1103/physrevb.73.045419
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Abstract: The finite temperature behavior of small Silicon (Si10, Si15, and Si20) and Tin (Sn10 and Sn20) clusters is studied using isokinetic Born-Oppenheimer molecular dynamics. The lowest equilibrium structures of all the clusters are built upon a highly stable tricapped trigonal prism unit which is seen to play a crucial role in the finite temperature behavior of these clusters. Thermodynamics of small tin clusters (Sn10 and Sn20) is revisited in light of the recent experiments on tin clusters of sizes 18-21 [G. A.…

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