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A new equilibrium structure for the Na309 cluster

  • Juan A. Reyes-NavaEmail author
  • Oscar Olvera-Neria
  • Francisco Pola-Albores
  • Guillermo Ibáñez
Research Paper
  • 44 Downloads

Abstract

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.

Keywords

Phase transitions in clusters Electronic structure of clusters Structure of solid clusters Photoelectronics 

Notes

Acknowledgements

J.A.R.N. thanks ABACUS-CINVESTAV under CONACYT grant EDOMEX-2011-COI-165873 for cpu-time.

Compliance with ethical standards

Conflict of interest

The authors declare that they have no conflict of interest.

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Copyright information

© Springer Nature B.V. 2019

Authors and Affiliations

  1. 1.Instituto de Investigación e Innovación en Energías RenovablesUniversidad de Ciencias y Artes de ChiapasTuxtla GutiérrezMéxico
  2. 2.Área de Física Atómica Molecular Aplicada (FAMA), CBIUniversidad Autónoma Metropolitana-AzcapotzalcoCiudad de MéxicoMéxico

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