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Topics - gozde

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General Questions and Answers / About Building an Interface
« on: November 8, 2022, 14:00 »
Dear experts,

How can we determine the number of layers to include when creating an interface between metal and semiconductor? For example there are different number of layers are added at the last step in Ag(100) and Au(111) and Ag-Si tutorials.

Best regards.

General Questions and Answers / Doping pn junction
« on: October 26, 2022, 18:27 »
Hi all,
I have a question about "add doping script".

Do we need to use the doping script which is mentioned in the "silicon junction tutorial" to dope the any device configuration or should we only use the doping tool instead of tag tool?
Also is there any difference between following "by expression --> selection tools --> tags" and "doping tool"?

I will appreciate your answers.

General Questions and Answers / Graphene Mobility
« on: September 27, 2022, 09:01 »
Hi all,

I studied on "Phonon-limited mobility in graphene using the BTE" tutorial. Unfortunately, I have found different mobility results for graphene. I have attached e-ph and mobility script as well as results file. Where could I go wrong?
I will be glad if you can help.


I have a question about Zn-ZnO-Zn junction tutorial. I tried to create the geometry by following this link "", however I can not understand how we select the smallest possible number of atoms, repeat a bit on both sides of the interface.

Also should we make any transformation when retrieving the Zn and ZnO geometries since the first one is hexagonal and the latter is face centered cubic?


Hi all,

I am a new user of ATK. I have made a tutorial of calculating the transmission spectrum of graphene and MoS2. Now I try to calculate transmission spectrum of 2D perfect sheet of InSe, however I can not use ATK-SE. It is written that " Internally invalid: The basis set is incompatible with the configuration." My question is, what calculator can be used for obtaining transmission spectrum of InSe or GaSe?

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