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ABSENCE OF METAL-CLUSTERS AND APPEARANCE OF NEW ELECTRON-STATES IN NA6C60

ANDREONI W
•
PARRINELLO M.
•
GIANNOZZI, Paolo
1994
  • journal article

Periodico
PHYSICAL REVIEW LETTERS
Abstract
We calculate the structural and electronic properties of the Na6C60 fulleride using the Car-Parrinello method as well as standard local density approximation band structure calculations. In contrast to previous claims we find that metal clusters do not form but, like the potassium and rubidium fullerides, sodium intercalation gives rise to a conventional ionic compound. Unlike the case of heavier alkali fullerides, a characteristic new kind of low-lying electron state appears that is not the C60 state. Effects of temperature on the electronic nature of the compound are discussed as well as consequences of these findings for higher fullerides.
DOI
10.1103/PhysRevLett.72.848
WOS
WOS:A1994MV43000014
Archivio
http://hdl.handle.net/11390/667080
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-3643147416
http://prl.aps.org/abstract/PRL/v72/i6/p848_1
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metadata only access
Scopus© citazioni
25
Data di acquisizione
Jun 15, 2022
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Web of Science© citazioni
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Data di acquisizione
Mar 18, 2024
Visualizzazioni
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Data di acquisizione
Apr 19, 2024
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