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Bandgap modulation of low-dimensional γ-graphyne-1 under uniform strain
- Source :
- Journal of Computational Electronics. 19:947-956
- Publication Year :
- 2020
- Publisher :
- Springer Science and Business Media LLC, 2020.
-
Abstract
- Graphyne sheets and nanotubes (GyNTs) are known as novel low-dimensional, i.e., two-dimensional (2D) and one-dimensional (1D), semiconducting carbon allotropes that can be used in nanoelectronics and therefore merit fundamental investigation. Among such materials, attention is currently focused on γ-graphyne-1, a member of the graphyne family that exhibits a maximum cohesive energy of −8.37 eV and chemical stabilityhas been focused. In this research density functional tight binding (DFTB) method in the investigation of electrical property under geometrical variation is reported and a detailed description of electrical as well as stability properties for γ-graphyne-1 in uniform strain is illustrated. It is concluded that the γ-graphyne-1 family of materials exhibit semiconducting properties with large bandgap values from 1.34 eV for the sheet structure to 1.93 eV for (3,0) armchair γ-graphyne-1 nanotubes. The γ-graphyne-1 family also displays elastic properties, enabling the modulation of the bandgap and engineering of the effective mass using homogeneous strain. These properties, along with the nonmetallic behavior of GyNTs, make them perfect materials for the design of novel electronic devices.
- Subjects :
- 010302 applied physics
Materials science
Condensed matter physics
Band gap
02 engineering and technology
021001 nanoscience & nanotechnology
01 natural sciences
Atomic and Molecular Physics, and Optics
Electronic, Optical and Magnetic Materials
Graphyne
Tight binding
Effective mass (solid-state physics)
Nanoelectronics
Homogeneous
Modeling and Simulation
0103 physical sciences
Sheet structure
Electronics
Electrical and Electronic Engineering
0210 nano-technology
Subjects
Details
- ISSN :
- 15728137 and 15698025
- Volume :
- 19
- Database :
- OpenAIRE
- Journal :
- Journal of Computational Electronics
- Accession number :
- edsair.doi...........19e92ae970066601c2397aa49454122f
- Full Text :
- https://doi.org/10.1007/s10825-020-01521-6