QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: atk_user on February 13, 2014, 06:26

Title: Device From Bulk... in the ATK Builder
Post by: atk_user on February 13, 2014, 06:26

Dear ATK staff members,

I built two electrode system like bulk to the .cif file.

After add the .cif file to the ATK builder, the Device From Bulk... button on the right side was not activated.
In some files, Device From Bulk... button was activated, but I can't control the Central Region Size and Electrode Size (not activated..).

Is there any rule for to user the Device From Bulk...? or any methods to build device model structures with left and right electrode for the ATK calculations?

Title: Re: Device From Bulk... in the ATK Builder
Post by: Anders Blom on February 13, 2014, 09:41

This is bigger question, quite fundamental but also quite easy. There are a lot of general details at http://quantumwise.com/publications/tutorials/mini-tutorials/99-how-to-set-up-the-electrodes-properly-in-a-two-probe-system and http://quantumwise.com/documents/tutorials/latest/ATKTutorialDevice/index.html/chap.input.html#sect1.input.device, but the short story is that you first need to create your central region by cleaving the bulk structure, then arranging it with whatever modifications you wish to make, and then you can extract the electrodes from the central region.

Title: Re: Device From Bulk... in the ATK Builder
Post by: atk_user on February 14, 2014, 02:52

Dear Anders Blom,

Thank you for your kind explanation. I need to follow the manual. Thank you again.