SIMULATION OF STRUCTURAL, ELASTIC, AND ELECTRONIC PROPERTIES OF NEW CUBIC CRYSTALS OF CARBON AND BN NANOTUBES
A. N. Enyashin, A. L. Ivanovskii
Keywords: crystals from carbon and BN nanotubes, structural, elastic, and electronic properties, simulation
Pages: 1033-1039
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.
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