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Local characteristics and electronic structure of fullerenes C60n-and fullerites C60Kn (n = 0-4,6)

Evarestov, R. A. ; Grigor'ev, D.K. ; Veryazov, Valera LU orcid and Leko, A. V. (1995) In Physics of the Solid State 37(11). p.1829-1832
Abstract
The electronic structure of C60n- molecules and ions and C60Kn (n=0-4,6) crystals is investigated in the zero diatomic overlap approximation. The calculated characteristics of the carbon-carbon chemical bond in fullerenes and fullerites are compared with the bond characteristics
in simpler covalent carbon-containing compounds, viz.: selected
hydrocarbons, graphite, and diamond. It is shown that the orders of the
C-C bonds change insignificantly in the transition from molecules to
crystals, so that the discussion can be confined to just two types of
C-C bonds in C60 in crystals as well. The orders of the
nonequivalent 5-5 and 5-6 bonds equalize as n... (More)
The electronic structure of C60n- molecules and ions and C60Kn (n=0-4,6) crystals is investigated in the zero diatomic overlap approximation. The calculated characteristics of the carbon-carbon chemical bond in fullerenes and fullerites are compared with the bond characteristics
in simpler covalent carbon-containing compounds, viz.: selected
hydrocarbons, graphite, and diamond. It is shown that the orders of the
C-C bonds change insignificantly in the transition from molecules to
crystals, so that the discussion can be confined to just two types of
C-C bonds in C60 in crystals as well. The orders of the
nonequivalent 5-5 and 5-6 bonds equalize as n increases. The results
should be useful in models of superconductivity in doped fullerites. (Less)
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type
Contribution to journal
publication status
published
in
Physics of the Solid State
volume
37
issue
11
pages
1829 - 1832
publisher
MAIK Nauka/Interperiodica
ISSN
1063-7834
language
English
LU publication?
no
id
40c61f19-ad18-4942-9bdf-6501742be135
date added to LUP
2023-03-29 12:50:36
date last changed
2023-03-30 12:47:00
@article{40c61f19-ad18-4942-9bdf-6501742be135,
  abstract     = {{The electronic structure of C<sub>60</sub><sup>n-</sup> molecules and ions and C<sub>60</sub>K<sub>n</sub> (n=0-4,6) crystals is investigated in the zero diatomic overlap approximation. The calculated characteristics of the carbon-carbon chemical bond in fullerenes and fullerites are compared with the bond characteristics<br>
 in simpler covalent carbon-containing compounds, viz.: selected <br>
hydrocarbons, graphite, and diamond. It is shown that the orders of the <br>
C-C bonds change insignificantly in the transition from molecules to <br>
crystals, so that the discussion can be confined to just two types of <br>
C-C bonds in C<sub>60</sub> in crystals as well. The orders of the <br>
nonequivalent 5-5 and 5-6 bonds equalize as n increases. The results <br>
should be useful in models of superconductivity in doped fullerites.}},
  author       = {{Evarestov, R. A. and Grigor'ev, D.K. and Veryazov, Valera and Leko, A. V.}},
  issn         = {{1063-7834}},
  language     = {{eng}},
  number       = {{11}},
  pages        = {{1829--1832}},
  publisher    = {{MAIK Nauka/Interperiodica}},
  series       = {{Physics of the Solid State}},
  title        = {{Local characteristics and electronic structure of fullerenes C<sub>60</sub><sup>n-</sup>and fullerites C<sub>60</sub>K<sub>n</sub> (n = 0-4,6)}},
  volume       = {{37}},
  year         = {{1995}},
}