Band-gap modification by radial deformation in C, BN, and BC3 nanotubes
Conference
·
OSTI ID:805113
- LBNL Library
We investigate the band-gap modification by collapsing deformation in C, BN, and BC3 nanotubes through first-principles pseudopotential calculations. Semiconductor-metal transitions occur when zigzag C and armchair BC3 nanotubes undergo collapsing deformation, while in zigzag BN tubes, a variation of band gaps from 5 to 2 eV is found. On the other hand, the band gaps of armchair BN and zigzag BC3 nanotubes are insensitive to collapsing deformation. Our findings can be used to design new nanotube-based functional devices.
- Research Organization:
- Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
- Sponsoring Organization:
- USDOE Director, Office of Science. Office of Basic Energy Studies. Division of Materials Sciences (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 805113
- Report Number(s):
- LBNL--48742; B& R KC0202030
- Country of Publication:
- United States
- Language:
- English
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