Electronic structure of carbon nanotubes: AM1-RHF calculations


Erkoc S. , Turker L.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, cilt.4, sa.3, ss.192-195, 1999 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 4 Konu: 3
  • Basım Tarihi: 1999
  • Doi Numarası: 10.1016/s1386-9477(99)00008-9
  • Dergi Adı: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
  • Sayfa Sayıları: ss.192-195

Özet

We have investigated the electronic structure of optimized open-ended single-wall carbon nanotubes with armchair and zigzag geometries. The calculations were performed using AM1-RHF semiempirical molecular orbital method. It has been found that the density of states of the zigzag model is more sensitive to the tube size than that of the armchair model. (C) 1999 Elsevier Science B.V. All rights reserved.