“School of Nano-Sciences”

Back to Papers Home
Back to Papers of School of Nano-Sciences

Paper   IPM / Nano-Sciences / 8130
School of Nano Science
  Title:   Structural and electronic properties of ultra-small radius SWCNT
  Author(s):  Mohammad Reza Mohammadizadeh
  Status:   Published
  Journal: Physica E
  No.:  1
  Vol.:  31
  Year:  2006
  Pages:   31-37
  Publisher(s):   Elsevier B.V.
  Supported by:  IPM
  Abstract:
Structural and electronic properties of an ultra-small radius single-walled carbon nanotube (SWCNT) were studied using density functional linear-augmented plane wave (LAPW) method. Different electronic properties of (4,0) SWCNT show this ultra-small radius nanotube could not be extracted from the simple folding of a graphene. The calculated value for diameter of the tube is 3.364A ˚ , in good agreement with experimental results. Density of states and band structure results show the metallic character of the (4,0) nanotube consistent with experimental results. A large van Hove peak near Fermi energy could be a good evidence for charge carriers to show superconductivity in a (4,0) nanotube. This calculation predicts that a (4,0) nanotube could be a stable structure as a freestanding SWCNT. It is also concluded that the density functional LAPW method gives reasonable electronic and structural properties of ultrasmall radii SWCNTs, which are at least as good as the pseudopotential approach results.

Download TeX format
back to top
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
scroll left or right