Computer Simulation of Electrical Characteristics of a Graphene Cluster with Stone-Wales Defects

Authors D.M. Sergeyev1,2

1Zhubanov Aktobe Regional University, 34, Moldagulova Ave., 030000 Aktobe, Kazakhstan

2Begeldinov Military Institute of Air Defence Forces, 39, Moldagulova Ave., 030012 Aktobe, Kazakhstan

Issue Volume 10, Year 2018, Number 3
Dates Received 22 February 2018; revised manuscript received – 05 June 2018; published online 25 June 2018
Citation D.M. Sergeyev, J. Nano- Electron. Phys. 10 No 3, 03018 (2018)
PACS Number(s) 73.63. – b, 61.72.J –
Keywords Graphene (23) , Stone-Wales defect (3) , Density of states (6) , Current-voltage characteristic (12) , Differential conductivity (3) , Transmission spectra (4) .

In the framework of the density functional theory, using the method of nonequilibrium Green's functions and in the local density approximation, the electrical characteristics of various configurations of graphene with a Stone-Wales defect are investigated. The calculation is implemented in the Atomistix ToolKit with Virtual NanoLab program. The current-voltage, dI/dV-characteristics, the transmission spectrum and the density of states of the nanostructures under consideration are calculated. At an energy of  0.5 eV, a band consisting of two peaks, characteristic for Stone-Wales defects, appears on the density of states. This "defect band" can be useful for recognizing such defects, as well as for determining their concentration in a graphene film. It is shown that on the current-voltage characteristics of defective graphene structures, a region with a negative differential resistance appears, possibly due to resonant tunneling of quasiparticles. The same changes are also observed on the dI/dV-characteristic. The obtained results can be useful for calculations of new promising electronic devices of nanoelectronics based on graphene.

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