A new mechanical equilibrium configuration for the cluster Na309 is presented. According to density functional theory (DFT), it is a closed shell geometry only 2.39 meV/atom less cohesive than the stablest one. It could be the structure whose presence was detected in previous experimental studies. With the goal of help the experiment to evaluate this possibility, we calculated the density of the electronic states (DOS) of the cluster at the predicted configuration.
Phase transitions in clusters Electronic structure of clusters Structure of solid clusters Photoelectronics
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J.A.R.N. thanks ABACUS-CINVESTAV under CONACYT grant EDOMEX-2011-COI-165873 for cpu-time.
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Conflict of interest
The authors declare that they have no conflict of interest.
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