Controlling Electronic Structures by Irradiation in Single-walled SiC Nanotubes: A First-Principles Molecular Dynamics Study
Journal Article
·
· Nanotechnology, 20(7):Art. No. 075708
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 of 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.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 950171
- Report Number(s):
- PNNL-SA-63957; KC0201020; TRN: US0901938
- Journal Information:
- Nanotechnology, 20(7):Art. No. 075708, Vol. 20, Issue 7
- Country of Publication:
- United States
- Language:
- English
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