Addition energies of fullerenes and carbon nanotubes as quantum dots: the role of symmetry.
Using density-functional theory calculations, we investigate the addition energy (AE) of quantum dots formed of fullerenes or closed single-wall carbon nanotubes. We focus on the connection between symmetry and oscillations in the AE spectrum. In the highly symmetric fullerenes the oscillation period is large because of the large level degeneracy and Hund's rule. For long nanotubes, the AE oscillation is fourfold. Adding defects destroys the spatial symmetry of the tubes, leaving only spin degeneracy; correspondingly, the fourfold behavior is destroyed, leaving an even/odd behavior which is quite robust. We use our symmetry results to explain recent experiments.
Ke
San-Huang
SH
Department of Chemistry, Duke University, Durham, North Carolina 27708-0354, USA.
Baranger
Harold U
HU
Yang
Weitao
W