Author Topic: Zn-ZnO-Zn Transport Calculation  (Read 299 times)

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Offline gozde

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Zn-ZnO-Zn Transport Calculation
« on: August 12, 2022, 15:55 »
Hello,

I have a question about Zn-ZnO-Zn junction tutorial. I tried to create the geometry by following this link "https://forum.quantumatk.com/index.php?topic=5320.msg22991#msg22991", 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?

Thanks.

Offline gozde

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Re: Zn-ZnO-Zn Transport Calculation
« Reply #1 on: September 25, 2022, 11:37 »
Can any one guide me about this issue?