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Nanotechnology. 2009 Feb 18;20(7):075708. doi: 10.1088/0957-4484/20/7/075708. Epub 2009 Jan 26.

Controlling electronic structures by irradiation in single-walled SiC nanotubes: a first-principles molecular dynamics study.

Author information

  • 1Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, People's Republic of China. zgwang@uestc.edu.cn

Abstract

Using first-principles molecular dynamics simulations, the displacement threshold energy and defect configurations are determined in SiC nanotubes. The simulation results reveal that a rich variety of defect structures (vacancies, Stone-Wales defects and antisite defects) are formed with threshold energies from 11 to 64 eV. The threshold energy shows an anisotropic behavior and exhibits a dramatic decrease with decreasing tube diameter. The electronic structure can be altered by the defects formed by irradiation, which suggests that the electron irradiation may be a way to use defect engineering to tailor electronic properties of SiC nanotubes.

PMID:
19417436
[PubMed]
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