Author Topic: Building CNT-CNT junction.  (Read 7384 times)

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Offline Brave

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Building CNT-CNT junction.
« on: March 18, 2013, 13:47 »
Dear Reader,
I want to build a metallic CNT-CNT cross junction device using the builder module present in the VNL (Ver 12.8 )
However I have no clue as to how one should proceed.
Kindly suggest appropriate approaches or inform of tutorials if available.

(The structure I am trying to build is of the type : http://farm9.staticflickr.com/8250/8568652796_48ebcb5057_b.jpg)
« Last Edit: March 18, 2013, 13:49 by Srijeet Tripathy »

Offline Brave

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Re: Building CNT-CNT junction.
« Reply #1 on: March 20, 2013, 12:58 »
Dear reader,
I was able to solve the problem I had mentioned earlier and was able to build a CNT-CNT junction; however am unable to define the device electrodes.
The problem reported is, the atomic position mismatch between the central region and the left electrode region.
(The screenshot: http://farm9.staticflickr.com/8237/8573593859_b531eba5b8_h.jpg)

I have approached this by translating the entire structure by the difference between the 'current' and the 'required' coordinates.
But this does not solve the problem. 
Kindly suggest some approaches.
 
   

Offline zh

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Re: Building CNT-CNT junction.
« Reply #2 on: March 21, 2013, 02:31 »
Because the requirement for the periodicity boundary condition of electrode at the current implementation of Virutal NanoLab, I think that it may not be achieved to do what you want.

Offline Anders Blom

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Re: Building CNT-CNT junction.
« Reply #3 on: March 21, 2013, 11:16 »
It can actually be achieved - sort of. But you have to be tricky, and you cannot simulate a single junction - you need to have 2. See attached picture!

Offline Brave

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Re: Building CNT-CNT junction.
« Reply #4 on: March 23, 2013, 15:29 »
So basically, I will be able to define such junctions as long as I keep the axis of the cnts perpendicular to the xy plane. Right?

Offline Anders Blom

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Re: Building CNT-CNT junction.
« Reply #5 on: March 24, 2013, 22:19 »
There is a fundamental requirement in ATK that the transport must be along C and that the central and electrode unit cells spanned by the three cell vectors are aligned such that C is parallel to Z and the AB plane is perpendicular to Z (C). So as long as you stick to that, you can define junctions like the one I depicted since it obeys the rule.