Hi, Mehmet I notice that in your PRB paper (Current-voltage (I-V) characteristics of armchair graphene nanoribbons under uniaxial strain), the model in Figure 1 is armchair GNR with edge H passivation, can you share with me an example of IV calculation for H-passivated armchair GNR? I have tried to calculate the transmission coefficient of such a system, but the value is in order of 10(-7). I think it is too small to believe. Thank you very much
Liangzhi Kou > Hi all, > Since many people in this forum are trying use transiesta, the zip file in > http://unam.bilkent.edu.tr/mt2/transiesta/ contains a COMPLETE example of > transmission spectrum and I-V calculation for a graphene nanoribbon (agnr8). > You can follow the steps in README.txt . The attached ANALYSIS.pdf file is > the summary of the results that I've obtained with transiesta 3.0-b. > Since there are very few documents and examples related with transiesta on > the web, I'm not sure whether my parameters are correct and efficient in this > example. So please inform me if you find any problem with this example. > Regards. > ......................................... > Mehmet Topsakal > UNAM-Institute of Materials Science and Nanotechnology, Bilkent, Ankara, > Turkey.
