The effects of defects on electron transport in metallic single wall carbon nanotubes
Abstract
We report the transport behavior of an open-end metallic single wall carbon nanotube (SWCNT) with and without local structural defects using the non-equilibrium Green’s functions approach together with the density functional theory (DFT). The transmission spectra and the projected density of states for the devices such as SWCNT (3, 3), (4, 4), (5, 5) and (6, 6) with and without defects were compared. In all cases, we found that the Stone-Wales defect had an almost negligible impact on the electrical performance compared to the monovacancy defect of the single wall carbon nanotubes at the Fermilevel. The Current-Voltage (I-V) characteristics of the devices were studied using the generalized Landauer - Buttiker formalism under low bias conditions. From our results, we concluded that our systems were suitable for use in various CNT based nano-electronic devices.
Keywords
About the Authors
S. SivasathyaIndia
Department of Physics and Nanotechnology
D. John Thiruvadigal
India
Department of Physics and Nanotechnology
References
1. S.Ijima. Helical microtubules of graphitic carbon. Nature, 354, P. 56–58 (1991).
2. R.Saito, G.Dresselhaus, M.S.Dresselhaus. Physical properties of carbon nanotubes. Imperial College press, London (1998).
3. S.J.Tans, et al. Individual Single wall carbon nanotubes as quantum wires. Nature, 386, P. 474–477 (1997).
4. Kikuji Hirose, et al. First-principles calculations in real-space formalism. Imperial College Press, London (2005).
5. ATOMISTISTIX TOOL KIT 11.8.2 version, Quantumwise A/S, www.quantumwise.com.
6. M.Buttiker, et al. Generalised many-channel conductance formula with application to small rings. Phys. Rev. B, 31, P. 6207 (1985).
7. Y.V.Shtogun, L.M.Woods. Properties of Carbon Nanotubes under External Factors, Carbon Nanotubes, Jose Mauricio Marulanda (Ed.), USA (2010).
8. B.C.Pan, et al. Formation energies of topological defects in carbon nanotubes. Phys. Rev. B, 62, P. 12652– 12655 (2000).
9. J.B.Neaton, et al. Electron transport and optical properties of carbon nanostructures from first principles. Computer physics communications, 169, P. 1–8 (2005).
10. Yingying Zhang, et al. Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes. Computational material science, 62, P. 87–92 (2012).
Review
For citations:
Sivasathya S., Thiruvadigal D.J. The effects of defects on electron transport in metallic single wall carbon nanotubes. Nanosystems: Physics, Chemistry, Mathematics. 2013;4(3):405-408.