QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: esp on March 16, 2013, 00:05

Title: get around requirement for electrode to be mirrored in center region?
Post by: esp on March 16, 2013, 00:05

If i have a graphene 2 probe device with source, channel drain, there is a requirement to have the electrode repeated in the channel region .. if my electrodes are created n and p type by doping with specific location of Boron and Nitrogen atoms, and I want to show variation, this is a problem .. for example, if i have an electrode, and to dope it, i can add some dopant atoms in particular locations ... now if i want to see the effect of one of these dopant atoms being placed in the wrong location, i cannot do it, because moving one atom, with automatically require that same atom moved in the mirrored section inside the channel ... so .. is there any way around this requirement?

Title: Re: get around requirement for electrode to be mirrored in center region?
Post by: Anders Blom on March 18, 2013, 14:10

There is no way around the requirement, but there are Pythonish ways to make it easier to move the atom; I can show you how to do that if you want.

I didn't quite get the point about the dopant being in the "wrong" position, I don't think the labels "right" and "wrong" make much sense (to me)... Note that the electrodes are considered to be infinitely repeated to +infty and -infty respectively, so if you want something like

(segment1)(segment2)-center-(segment2)(segment1)

where segment1 and segment2 have doping in different positions and that's the effect to look for, the real setup will look like

(segment1)(segment1)(segment1)(segment2)-center-(segment2)(segment1)(segment1)(segment1)

This can be achieved by having a central region

(segment1)(segment2)-center-(segment2)(segment1)