Atomistic study of III-nitride nanotubes

作者：Kang JW; Hwang HJ^*

来源：Computational Materials Science, 2004, 31(3-4): 237-246.

DOI：10.1016/j.commatsci.2004.03.004

• single-wall boron-
• aluminum- and gallium-nitride nanotubes
• atomistic simulations
• Tersoff-type potential

We have investigated the structures, the energetic and the nanomechanics of the single-wall boron-, aluminum- and gallium-nitride nanotubes using atomistic simulations based on the Tersoff-type potential. The Tersoff-type potential for the III-nitride materials effectively described the properties of the III-nitride nanotubes. The nanomechanics of boron-, aluminum- and gallium-nanotubes under the compressive loadings has been investigated, and Young's moduli were calculated.

• 出版日期2004-11