Title :
Electronic structure and dielectric behavior of finite-length single-walled carbon nanotubes
Author :
Li, Yan ; Lu, Deyu ; Rotkin, Slava V. ; Schulten, Klaus ; Ravaioli, Umberto
Author_Institution :
Beckman Inst. for Adv. Sci. & Technol., Illinois Univ., Urbana, IL, USA
Abstract :
The electronic structure and dielectric screening of finite-length armchair carbon nanotubes are studied within a tight-binding model, which well captures the oscillation pattern of the band gap as the tube length increases. We find that: (1) the parallel screening constant ε|| grows almost linearly with the length and shows little dependence on the band gap; (2) the perpendicular screening is strongly related to the band gap and ε⊥ converges to its bulk value when the length exceeds tens of radius. Our method is employed to study the depolarization effect of a short (6,6) nanotube in a wet environment, when water is inside the tube. This situation is of interest for biomimetic uses of carbon nanotubes.
Keywords :
biomedical materials; biomimetics; carbon nanotubes; dielectric depolarisation; energy gap; tight-binding calculations; C; band gap; biomimetic; biomimetic application; depolarization effect; dielectric properties; dielectric screening; electronic structure; finite length armchair carbon nanotubes; finite length single walled carbon nanotubes; oscillation pattern; parallel screening constant; perpendicular screening; tight-binding model; Carbon nanotubes; Dielectrics; Electron tubes; Energy states; Nanoscale devices; Photonic band gap; Polarization; Semiconductivity; Tunneling; Wave functions;
Conference_Titel :
Nanotechnology, 2004. 4th IEEE Conference on
Print_ISBN :
0-7803-8536-5
DOI :
10.1109/NANO.2004.1392321