Electronic Behavior of Doped Graphene Nanoribbon Device: NEGF+DFT
محورهای موضوعی : Journal of NanoanalysisSadegh Afshari 1 , Jaber Jahanbin Sardroodi 2 , Hakimeh Mohammadpour 3
1 - School of Chemistry, Damghan University, Damghan, Iran
2 - Molecular Simulation Lab., Azarbaijan Shahid Madani University, Tabriz, Iran
3 - Department of Physics, Azarbaijan Shahid Madani University, Tabriz, Iran
کلید واژه: doping, graphene nanoribbon, partial atomic charge, NEGF, NDR,
چکیده مقاله :
Quantum transport properties of pure and functioned infinite lead-connection region-lead systembased on the zigzag graphene nanoribbon (2-zGNR) have been investigated. In this work the effectof the doping functionalization on the quantum transport of the 2-zGNR has been computationallystudied. Also, the effect of the imposed gate voltages (-3.0, 0.0 and +3.0 V) and bias voltages 0.0 to2.0 V have been studied. The results were presented as the current versus the bias voltage (I-Vb)curves with unique properties for per studied systems, showing one or two negative differentialresistances (NDR). The NDR region was discussed and interpreted in the terms of the transmissionspectrum and its integral inside of the corresponding bias window. Also, the partial atomic chargedistribution in the center part of the system’s scattering region containing carbon atoms at the leftand right sides of substituted atoms which are connected to substituted atoms has been investigatedfor different bias voltages.
