  Geometric optimization and electronic properties of Stone-Wales defective
antimonene nanotubes are calculated by the method of first -principle
calculations based on density functional theory. Various nanotubes are
investigated according to the possible orientations of zigzag/armchair
nanostructures when Stone-Wales defects are formed. The band structures,
partial density of states and atomic orbitals are calculated to reveal the
mechanism of influence of Stone-Wales defects on antimonene nanotubes. When the
structure of antimonene changes from monolayer to tube, the indirect gap
semiconductor antimonene transforms to a direct gap one. Moreover, the
character of direct band gap for the antimonene nanotube is preserved with the
Stone-Wales defect forming, while the energy of conduction band bottoms change
due to the intervene of the defect energy level in the band gaps. These results
may provide valuable references to the development and design of novel
nanotubes based on antimonene nanotubes.
