Equilibrium geometries and electronic structures of small sodium clusters

José Luís Martins, Jean Buttet, Roberto Car

Research output: Contribution to journalArticle

73 Scopus citations

Abstract

We report self-consistent local-spin-density calculations which provide, for the first time, the equilibrium geometries of the sodium clusters Nan and Nan+ with n<~8 and n=13, without making any a priori assumptions. Our results are in excellent agreement with recently obtained photoionization appearance potentials and electron-spin-resonance spectra. We find rapid formation of the metallic bond with a dominance of closely packed structures in two and three dimensions, and propose a simple model to account for it.

Original languageEnglish (US)
Pages (from-to)655-658
Number of pages4
JournalPhysical review letters
Volume53
Issue number7
DOIs
StatePublished - Jan 1 1984

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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