中国物理B ›› 2006, Vol. 15 ›› Issue (4): 798-801.doi: 10.1088/1009-1963/15/4/021

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Stability and electronic structure of InN nanotubes from first-principles study

陈丽娟   

  1. Application Physics Department of South China University of Technology, Guangzhou 510640, China
  • 收稿日期:2005-06-14 修回日期:2005-10-30 出版日期:2006-04-20 发布日期:2006-04-20
  • 基金资助:
    Project supported by the Natural Science Startup Foundation for Doctorate of Guangdong Province (Grant No 05300307).

Stability and electronic structure of InN nanotubes from first-principles study

Chen Li-Juan (陈丽娟)   

  1. Application Physics Department of South China University of Technology, Guangzhou 510640, China
  • Received:2005-06-14 Revised:2005-10-30 Online:2006-04-20 Published:2006-04-20
  • Supported by:
    Project supported by the Natural Science Startup Foundation for Doctorate of Guangdong Province (Grant No 05300307).

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摘要： The stability and electronic structure of hypothetical InN nanotubes were studied by first-principles density functional theory. It was found that the strain energies of InN nanotubes are smaller than those of carbon nanotubes of the same radius. Single-wall zigzag InN nanotubes were found to be semiconductors with a direct band gap while the armchair counterparts have an indirect band gap. The band gaps of nanotubes decrease with increasing diameter, similar to the case of carbon nanotubes.

Abstract: The stability and electronic structure of hypothetical InN nanotubes were studied by first-principles density functional theory. It was found that the strain energies of InN nanotubes are smaller than those of carbon nanotubes of the same radius. Single-wall zigzag InN nanotubes were found to be semiconductors with a direct band gap while the armchair counterparts have an indirect band gap. The band gaps of nanotubes decrease with increasing diameter, similar to the case of carbon nanotubes.

Key words: InN, strain energies, band gap, first-principles calculation

中图分类号:  (Electron states and collective excitations in multilayers, quantum wells, mesoscopic, and nanoscale systems)

  • 73.21.-b
68.65.-k (Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.20.At (Surface states, band structure, electron density of states)