Questions of electrode

[tigeryzz]

Hi!
ATK introduces the  semi-infinite electrodes in the calculation. I am puzzled that if the electrode is the real electrode materials or just a electron pool of such atoms. namely, Dose Atk perform the transport of the scattering region or a the tranport of all.
For example, if I put one  vacancy in a CNT, Is there a vacancy in a infinite CNT or just a vacancy in a finite CNT which in the scattering region.
I hope you can understand.
Thanks!

[Anders Blom]

The electrodes are real.
The first version is correct: it's a single impurity in an infinite nanotube.

[tigeryzz]

Thanks.
I thought it was just a pool before. Can you brifly introduce me how do you deal with the electrode in calculation, or offer some paper that describe it?
And anyway, can I use some examples or can you offer me some models to confirm it?

[Anders Blom]

A good starting point would be the tutorial on http://quantumwise.com/publications/tutorials, the first one (Part 2), i.e. http://quantumwise.com/documents/tutorials/ATK_TutorialSession_Part1_SCF.pdf.