Simulation of structural, elastic, and electronic properties of new cubic crystals of carbon and BN nanotubes

Abstract

Models of new cubic crystals from carbon and boron-nitrogen (BN) nanotubes are proposed. Within electronic density functional theory, their structural, elastic, and electronic properties are studied. These isotropic nanotubular crystals are found to have extremely high elastic modules B (∼490–650 GPa) and low compressibility β (∼0.0020–0.0015 1/GPa) and maintain the conductivity typical of their “building blocks,” i.e. isolated carbon and BN nanotubes.