| Issue |
Europhys. Lett.
Volume 44, Number 4, November II 1998
|
|
|---|---|---|
| Page(s) | 525 - 530 | |
| Section | Cross-disciplinary physics and related areas of science and technology | |
| DOI | https://doi.org/10.1209/epl/i1998-00505-4 | |
| Published online | 01 September 2002 | |
A theoretical study of the smallest tetrahedral carbon schwarzites
Istituto Nazionale per la Fisica della Materia and Dipartimento di Scienza dei Materiali dell'Università via Emanueli 15, 20126 Milano, Italy
Received:
15
May
1998
Accepted:
28
September
1998
We present a tight-binding molecular-dynamics investigation on the structural,
elastic and electronic properties of the smallest periodic tetrahedral carbon
schwarzites fcc-
, fcc-
and fcc-
. Although
their unit cells are equivalent to the fullerenes 
, 
and 
, respectively, their stability is found to be much higher. Moreover they present
alternatively metallic or insulating character, which would make this class of hypothetical
materials suitable to a wide range of applications.
PACS: 81.05.Zx – New materials: theory, design, and fabrication / 61.50.Ah – Theory of crystal structure, crystal symmetry; calculations and modeling. / 71.15.Pd – Molecular dynamics calculations (Car-Parrinello) and other numerical simulations
© EDP Sciences, 1998
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