QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: serhan on April 12, 2009, 20:03

Title: A multi-walled CNT structure creation as two-probe
Post by: serhan on April 12, 2009, 20:03

Dear all,

I'm trying to set up a structure as follows:

The scattering region: A double-walled CNT structure composed of (5,5) and (12,12) CNTs. The electrodes: From the left hand side, I want to set up the electrode as (5,5), and at the right hand side set up the electrode as (12,12). In other words, (5,5) CNT will continue at left as left electrode while (12,12) will continue at the right to form right probe.  ;)

By such a configuration, I can calculate the transport (if any) between shells  :). I prepared the scattering region as attached by using some information posted previously on this forum.  But I could not probe the scattering region as I defined above. Could you please help?  ;)

Cheers,
Serhan

Title: Re: A multi-walled CNT structure creation as two-probe
Post by: Nordland on April 12, 2009, 23:54

Hmmm tough one!

Perhaps you can do it with the bulk builder or the atomic manipulator cleave functionality.

Title: Re: A multi-walled CNT structure creation as two-probe
Post by: serhan on April 13, 2009, 05:56

Thanks Nordland, but as much as I know, cleave functionality only creates two identical electrodes, I need (5,5) CNT as electrode at left and (12,12) CNT electrode at right. (Perhaps I could not explain my problem well enough).

Thanks again

Cheers
Serhan

Title: Re: A multi-walled CNT structure creation as two-probe
Post by: Nordland on April 13, 2009, 08:14

Okay I tried alot of with the atomic manipulator, until I realized how easy it was to do by scripting.

I have updated your script and attached it to this post - along with a screen-shot of the system - was it this geometry you were trying to setup?

Title: Re: A multi-walled CNT structure creation as two-probe
Post by: serhan on April 13, 2009, 08:30

Thanks again, this is excellent  :D