Ab initio density functional theory investigation of structural and electronic properties of double-walled silicon carbide nanotubes

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 angstrom. Interwall spacing and curvature difference are found to be essential for the electronic states around the Fermi level. (C) 2009 Elsevier B.V. All rights reserved.