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“School of Nano-Sciences”

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Paper   IPM / Nano-Sciences / 11693
School of Nano Science
  Title:   Ab initio density functional theory investigation of structural and electronic properties of double-walled silicon carbide nanotubes
  Author(s): 
1 . Rostam Moradian
2 . Somayeh Behzad
3 . Raad Chegel
  Status:   Published
  Journal: Physica E
  No.:  2
  Vol.:  42
  Year:  2009
  Pages:   4
  Publisher(s):   Elsevier B.V.
  Supported by:  IPM
  Abstract:
By using ab initio density functional theory, the structural and electronic properties of (n,n)@(11,11) double-walled silicon carbide nanotubes (SiCNTs) are investigated. Our calculations reveal the existence of an energetically favorable double-walled nanotube whose interwall distance is about 4.3 Å. Interwall spacing and curvature difference are found to be essential for the electronic states around the Fermi level.

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