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General Questions and Answers / Negative differential conductance in perfect zigzag GNR?
« on: July 1, 2013, 04:48 »
Hi all,
I have set up a simple device structure consisting of 8 zigzag GNRs (see attached image). I used the extended Huckel method with Cerda parameter set for Carbon and Hydrogen, performed the calculation self-consistently with energies = (-2,2,101), kpoints = (1,1,100). The calculation for bias from 0V to 0.6V in step 0.1V followed the tutorial http://quantumwise.com/publications/tutorials/mini-tutorials/98-i-v-curve-and-voltage-drop (see attached scripts).
The results show negative differential conductance in the I-V curve which is quite unexpected. Could you please let me know if there is anything miscalculated or any problem with the device set up?
Thank you very much
I have set up a simple device structure consisting of 8 zigzag GNRs (see attached image). I used the extended Huckel method with Cerda parameter set for Carbon and Hydrogen, performed the calculation self-consistently with energies = (-2,2,101), kpoints = (1,1,100). The calculation for bias from 0V to 0.6V in step 0.1V followed the tutorial http://quantumwise.com/publications/tutorials/mini-tutorials/98-i-v-curve-and-voltage-drop (see attached scripts).
The results show negative differential conductance in the I-V curve which is quite unexpected. Could you please let me know if there is anything miscalculated or any problem with the device set up?
Thank you very much