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 -