Effects of Lagrangian multipliers on SWCNT in real space


Suenel N., Rizaoglu E., Harigaya K., Oezsoy O.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, cilt.106, sa.9, ss.2100-2106, 2006 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 106 Sayı: 9
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1002/qua.20994
  • Dergi Adı: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2100-2106
  • İstanbul Üniversitesi Adresli: Hayır

Özet

Electronic properties, band-width, band gap, and van Hove singularities of (3, 0), (4, 0), and (9, 0) zigzag nanotubes are investigated comparatively in the Harigaya model and a toy model, including the contributions of bonds of different types to the SSH Hamiltonian differently. Optical transition frequencies are calculated. In this way, an experimental correlation between the two models is achieved. (C) 2006 Wiley Periodicals, Inc.