FIRST-PRINCIPLES BAND STRUCTURES OF ARMCHAIR NANOTUBES

Citation
Jw. Mintmire et Ct. White, FIRST-PRINCIPLES BAND STRUCTURES OF ARMCHAIR NANOTUBES, Applied physics A: Materials science & processing, 67(1), 1998, pp. 65-69
Citations number
29
Categorie Soggetti
Physics, Applied
ISSN journal
09478396
Volume
67
Issue
1
Year of publication
1998
Pages
65 - 69
Database
ISI
SICI code
0947-8396(1998)67:1<65:FBSOAN>2.0.ZU;2-Y
Abstract
Recent work by Thess et al. suggests that (10,10) carbon nanotubes wit h diameters of 1.38 nm have been observed with high conductivities. Ot her experimental results have directly measured the density of states of single-wall carbon nanotubes with diameters in the range 1-1.5nm. H erein we examine the expected electronic properties of armchair single -wall nanotubes with diameters in this range, and present first-princi ples local-density functional results for band structure and density o f states of these SWNTs. We find our results support the validity of t he simple graphene sheet model, and are in close agreement with experi mental measurements of the density of states of these materials.