[Wien] Need help to generate unit cell for semiconductor heterostructure

[delamora]

I suppose that you have TiO2 rutile, and ZnO rocksalt, so what do you mean by one layer?
Also, they have very different unit cell parameters TiO2; 4.57, 4.57, 2.93, ZnO; 3.81, so how can you put them one on top of the other?

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Let me rewrite the question. We want to make a heterostructure of TiO2/ZnO, just two layers for now. Your response is highly appreciated.

Kind regards

Lawal


On Sunday, April 28, 2019, 7:01:09 AM GMT+8, delamora <delamora at unam.mx> wrote:



Dear Developers and Users,

I need your help to generate unit cell of a semiconductor structure of two layers of different materials. Any hint is highly appreciated.
....................................
Your question is not clear... There are many possibilities
Do you want to put two layers? What materials do you want to put? Maybe you put two semiconductors, but together they are not semiconductors

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