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

作者：Enyashin A N^*; Ivanovskii A L

来源：Journal of Structural Chemistry, 2008, 49(6): 994-1000.

DOI：10.1007/s10947-008-0171-8

• crystals from carbon and BN nanotubes
• structural
• elastic
• electronic properties
• simulation

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 beta (0.0020-0.0015 1/GPa) and maintain the conductivity typical of their "building blocks," i.e. isolated carbon and BN nanotubes.

• 出版日期2008-11