Atomic structure and electronic properties of a bent carbon nanotube

摘要

An atomic model of a single joint between (10,0) and (6,6) half-nanotubes has been constructed and relaxed on the computer by molecular mechanics. The connection is based on a diametrically opposed pentagon and heptagon pair, which bends the structure. The electronic properties of this semiconductor-metal junction are explored within a tight-binding description of the C pi bands.