Messages

1

General Questions and Answers / Re: Regarding Graphene Device Tutorial (zigzag-armchair-zigzag)

« on: April 14, 2016, 13:51 »

Thanks Jess,

This works perfectly. I just wanted to know is there some kind of linear interpolation being done to evaluate the density at the points specified in the script (xyz format)? Since it is not necessary that points on the paths be grid points (as suggested by the script itself) the output curve has some unexpected noise, is this due to some hard matching rules like evaluating density at the closest grid point for each point specified in the file.

2

General Questions and Answers / Re: Regarding Graphene Device Tutorial (zigzag-armchair-zigzag)

« on: April 13, 2016, 11:49 »

Dear sir,

Thank you for the reply, though my predicament is a bit different. To explain the same consider the following (attached) figure.  I want to obtain the 1D projection of the Potential along the lines as shown in the attached figure in white.

3

General Questions and Answers / Regarding Graphene Device Tutorial (zigzag-armchair-zigzag)

« on: April 13, 2016, 11:13 »

Hi,

In the tutorial of the graphene nanoribbon device with zigzag contacts and armchair graphene as the centre, I want to plot electronDifferencePotential through the middle of the device however the 1D projector can only plot along axes or provide and avarage across 2 axes. To be able to plot the quantities in the device region of the structure however I would need to understand how the Potential is stored. For instance since my device is in the centre of the box I only need the values at a = 5 A (or 0.5 fractional coordinates). Next I'd need to know the potential across a straight line in the B-C plane with slope 30 degrees. Can you please guide me as to how this can be done.

Thanks and regards,
Praanshu