[Pw_forum] Calculating Work function of a nanoribbon

Peeyush Agarwal getpeeyush at gmail.com
Fri Oct 19 07:41:10 CEST 2012

Hi all,

I was calculating the workfunction of a graphene nano-ribbon using the
example WorkFCT as a template. I also read the post here:

My question is when I calculate the WF for a nanoribbon I have vacuum along
two directions and the ribbon is infinite in one (say Y dirn).

In this case, I can calculate the macroscopic average of the potential
along x or z, and both of them should give me the energy level of the
vacuum in that space. Shouldn't these levels be the same?

I did the calculations along the z direction and also tried along x to
verify, but I get different potentials along x and z.

Can someone please clarify?


Peeyush Agarwal
Research Assistant
University of Illinois, Urbana-Champaign
pagarwl3 at illinois.edu
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