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

Е-mail [email protected]
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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