TY - GEN
T1 - Electronic structure and dielectric behavior of finite-length single-walled carbon nanotubes
AU - Li, Yan
AU - Lu, Deyu
AU - Rotkin, Slava V.
AU - Schulten, Klaus
AU - Ravaioli, Umberto
PY - 2004
Y1 - 2004
N2 - 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 biomimctic uses of carbon nanotubes.
AB - 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 biomimctic uses of carbon nanotubes.
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M3 - Conference contribution
AN - SCOPUS:20344382313
SN - 0780385365
SN - 9780780385368
T3 - 2004 4th IEEE Conference on Nanotechnology
SP - 273
EP - 275
BT - 2004 4th IEEE Conference on Nanotechnology
T2 - 2004 4th IEEE Conference on Nanotechnology
Y2 - 16 August 2004 through 19 August 2004
ER -