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Density‐Functional‐Theory Calculation of Semiconducting Carbon Nanotubes under an External Electric Field
Author(s) -
Tien LiGan,
Liaw TsongMing,
Li FengYin,
Lin ShengHsien,
Lee MingHsien,
Clark Steward
Publication year - 2003
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.200300091
Subject(s) - electric field , carbon nanotube , chemistry , nanotube , density functional theory , carbon nanotube quantum dot , condensed matter physics , nanotechnology , field (mathematics) , chemical physics , computational chemistry , materials science , physics , quantum mechanics , mathematics , pure mathematics
We investigate the structure change of semiconducting carbon nanotubes under an external electric field with density functional theory. It is shown that the shape of the nanotube remains cylindrical and the length of the nanotube is also the same, even under a strong electric field. The only change observed is the diameter of the nanotube. It increases along with the increase of the applied electric field.