Effect of axial strain on the electronic and structural properties of silicon carbide nanotube

Using the density functional theory, the electronic and structural properties of (6,0) zigzag single-walled silicon carbide nanotube (SW-SiCNT) under axial strain were investigated. The variations of HOMO–LUMO gaps, geometrical parameters and isodensity surfaces of the HOMOs and LUMOs were investigated for SiCNT at different strains. Our results show that the axial strain affects on the electronic and structural properties of zig-zag SiCNTs.

کلیدواژه ها:

Silicon Carbide Nanotube ، Axial Strain ، Structural properties ، Electronic properties ، Density Functional Theory