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

作者：Moradian Rostam^*; Behzad Somayeh; Chegel Raad

来源：Physica E: Low-Dimensional Systems and Nanostructures , 2009, 42(2): 172-175.

DOI：10.1016/j.physe.2009.10.005

• Density functional theory
• SiC nanotube
• Electronic structure

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.

• 出版日期2009-12