Journal article
Electronic structures of Stone–Wales defective chiral (6,2) silicon carbide nanotubes: First-principles calculations
Physica E: Low-dimensional Systems and Nanostructures, Vol.74, pp.198-203
2015
Abstract
By using first-principle calculations based on density functional theory, the geometries and electronic structures of the Stone-Wales defective chiral (6,2) silicon carbide nanotubes (SiCNTs) are investigated. Independent on their orientations, Stone-Wales defects form two asymmetric pentagons and heptagons coupled in pairs (5-7-7-5) and a defect energy level in the band gap of the SiCNT. By applying transverse electric fields, significant differences in the electronic structures of the defective (6,2) SiCNTs are achieved, which may provide the foundation of identifying the orientation of Stone-Wales defects in chiral SiCNTs.
Details
- Title
- Electronic structures of Stone–Wales defective chiral (6,2) silicon carbide nanotubes: First-principles calculations
- Authors/Creators
- J. Song (Author/Creator) - Xi'an Shiyou UniversityH. Liu (Author/Creator) - Xi'an Institute of Microelectronic Technology, Xi'an 710075, ChinaY. Guo (Author/Creator) - Xi'an Shiyou UniversityK. Zhu (Author/Creator) - Xi'an Shiyou University
- Publication Details
- Physica E: Low-dimensional Systems and Nanostructures, Vol.74, pp.198-203
- Publisher
- Elsevier
- Identifiers
- 991005540057007891
- Copyright
- © 2015 Elsevier B.V.
- Murdoch Affiliation
- School of Engineering and Information Technology
- Language
- English
- Resource Type
- Journal article
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- Collaboration types
- Domestic collaboration
- International collaboration
- Citation topics
- 2 Chemistry
- 2.76 2D Materials
- 2.76.1524 Boron Nitride Nanomaterials
- Web Of Science research areas
- Nanoscience & Nanotechnology
- Physics, Condensed Matter
- ESI research areas
- Physics