Simulation of structural, elastic, and electronic properties of new cubic crystals of carbon and BN nanotubes |
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Authors: | A N Enyashin A L Ivanovskii |
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Institution: | (1) Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Ekaterinburg, Russia |
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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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Keywords: | crystals from carbon and BN nanotubes structural elastic and electronic properties simulation |
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