Author Topic: carbon nano tube  (Read 3153 times)

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Offline anshul12

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carbon nano tube
« on: October 7, 2012, 19:08 »
Dear ATK team,

can  you do help me , my problem is i want to make branch type carbon nano tube device but i could not define the electrode in structure .please help me of this problem ( see attach  python script)

Offline zh

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Re: carbon nano tube
« Reply #1 on: October 9, 2012, 03:19 »
There are two difficult points to construct the electrodes for your configuration:
1). The transport direction  is predefined to be along the z direction in the two-probe system of ATK.
2). The directions perpendicular to the transport directions have periodic boundary. In the case of the short straight tube is connected to the electrodes, a large vacuum should be included.

Offline mads.engelund

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Re: carbon nano tube
« Reply #2 on: October 9, 2012, 16:23 »
As zh said, the two electrodes have to be aligned. This is a constraint of ATK that will remain for the foreseeable future.

A way around this constraint could be to make two crossings.
I have made a sketch of what I mean in the attached *.py file.

But do not use this input file, it has not been constructed carefully, it is only an example of what I mean.