Transitions between semiconductor and metal induced by mixed deformation in carbon nanotube devices

By applying nonequilibrium Green’s functions in combination with the density-functional theory, we investigate the electronic transport properties of molecular junctions constructed by (8,0) and (9,0) carbon nanotubes with radial and elongation deformation. The results show that the transitions between semiconductor and metal can be induced by the combination of both radial and elongation deformation. The results also show that the electronic transport properties of molecular junction can be modulated by deformation degree. A mechanism for the transitions is suggested.