The structural, mechanical and electronic properties of (4, 4) SiC/C nanotube heterojunction: A first-principles study

► We analyzed the mechanical and electronic properties of the (4, 4) SiC/C nanotube heterojunction. ► The rearrangement of atoms at the interface does not significantly lower the mechanical strength of the heterojunction. ► The (4, 4) SiC/C nanotube heterojunction is a semiconductor with a direct band gap. ► The length of the CNT and SiCNT affects the electronic structure of the heterojunction. ► We estimated the band offset of the (4, 4) SiC/C heterojunction.