Study of physical properties of single walled SiC nanotube (8,8) in crystalline bundles by DFT

The physical properties of single walled armchair SiC nanotubes crystalline bundles (8,8) in tetragonal crystalline bundles with a common tubule axial direction have been studied by the density function theory using the Quantum SPRESSO Software. Being bundled changes the physical properties of tubule such as structural parameters, charge density, band gap and density of state, bulk modulus and also stability due to inter-tube interactions. Calculations show that these changes are positive and in the direction of increasing stability of the tubule. For comparison, the physical properties of the isolated SW-SiC-NT and the single SiC sheets have been tested in the same way.