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Metal-to-semiconductor transition in squashed armchair carbon nanotubes
Jun-Qiang Lu1, Jian Wu, Wenhui Duan
1Center for Advanced Study, Tsinghua University, Beijing 100084, People's Republic of China.
Physical Review Letters
|May 7, 2003
Abstract:
We investigate electronic transport properties of the squashed armchair carbon nanotubes, using tight-binding molecular dynamics and the Green's function method. We demonstrate a metal-to-semiconductor transition while squashing the nanotubes and a general mechanism for such a transition. It is the distinction of the two sublattices in the nanotube that opens an energy gap near the Fermi energy. We show that the transition has to be achieved by a combined effect of breaking of mirror symmetry and bond formation between the flattened faces in the squashed nanotubes.