PROPERTIES OF FULLERENE NANOTUBULES

Citation
Jw. Mintmire et al., PROPERTIES OF FULLERENE NANOTUBULES, Journal of physics and chemistry of solids, 54(12), 1993, pp. 1835-1840
Citations number
30
Categorie Soggetti
Physics, Condensed Matter",Chemistry
ISSN journal
00223697
Volume
54
Issue
12
Year of publication
1993
Pages
1835 - 1840
Database
ISI
SICI code
0022-3697(1993)54:12<1835:POFN>2.0.ZU;2-O
Abstract
Recent reports show that single graphitic tubules with diameters on th e order of fullerene diameters have been synthesized. We have examined both the electronic and structural properties of these materials usin g a range of methods. We have calculated the electronic structure of s everal graphitic tubules using a first-principles, self-consistent, al l-electron Gaussian-orbital based local-density functional (LDF) appro ach. We have found that the class of high-symmetry tubules we denote a s ''serpentine'' are metallic, with nonzero gaps for other finite radi us tubules. With potential electronic and structural applications, the se materials appear to be appropriate synthetic targets for the curren t decade.