Local characteristics and electronic structure of fullerenes C60n-and fullerites C60Kn (n = 0-4,6)
(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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- author
- Evarestov, R. A. ; Grigor'ev, D.K. ; Veryazov, Valera LU and Leko, A. V.
- publishing date
- 1995
- 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}}, }