QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ashish on May 1, 2018, 12:38

Title: electrode of device
Post by: ashish on May 1, 2018, 12:38

To,
Respected ATK expert,

Please suggest to me. how to build electrode of device.


Thanks

Title: Re: electrode of device
Post by: Petr Khomyakov on May 1, 2018, 16:54

Please clarify what exactly do you mean by "to build electrode of device"?  In the figure, it seems that you have already built a device with two electrodes made of the same material as the central region.

Title: Re: electrode of device
Post by: ashish on May 1, 2018, 21:43

To,

Respected ATK team

electrode of graphene break. so how to build right electrode.


Thanks

Title: Re: electrode of device
Post by: Petr Khomyakov on May 1, 2018, 22:14

I am sorry, I do not understand what you want to do.

Title: Re: electrode of device
Post by: ashish on May 1, 2018, 23:53

Dear sir ,

 I am attaching a spiral graphene device to be placed for device calculation. when I place the sprial graphen structure from bulk to device   the structure's ends breaks in the electrode area. I have tried it several times but failed to put it correctly.

Thank

Title: Re: electrode of device
Post by: Petr Khomyakov on May 2, 2018, 01:51

The length (L) of the central region (which is the supercell structure used to create the device) is supposed to be  divisible by the  length (l) of the spiral primitive cell along the spiral axis, i.e., L= n * l.  In your device, this does not hold true, n=5, l=10 Angs, but L= 52 Angs , meaning that you have not constructed your original supercell (used to create the device) correctly. Enclosed you can find the corrected electrode,  central region and device structures in 3 python files, as well as a png file with the correct device structure.