Electronic Properties of Parallel-Aligned Arrays of Carbon Nanotubes

We present results of electronic properties' DFT calculations, i.e., band structure, density of states and energy gap for arrays of parallel-ordered infinitely long small-diameter carbon nanotubes (CNTs). It turns out that if the distance between CNTs is sufficiently large (of the order 7.5 Å or greater), the electronic properties of arrays are very close to isolated CNTs. However, when CNTs in arrays are forced to be at a distance of the order of 5 Å, they undergo radical structural rearrangements, leading to completely different structures: graphite-like or three-dimensional lattice intermediates between graphite and diamond. Electronic properties are also rebuilt in a drastic manner.