Structural and electronic properties of C and BN nanotubes based on periodic fullerenes: A density functional theory study

ABSTRACTThe structural and electronic properties of C and BN nanotubes based on periodic fullerenes were studied using density functional theory. It was shown that these tubular structures are stable. The electronic band structures and density of states indicated that the C nanotubes based on periodic fullerenes are metals. The energy band gap was appeared by substitution of C atoms with B and N atoms. The BN nanotubes based on periodic fullerenes show semiconducting properties. Our results suggest that the nanotubes based on periodic fullerenes can be used to design of nanoelectronic devices.