Setting up the system for a Spin transport study

[gayani2025]

Dear All,

I have setup a system for a Spin transport study. Perovskite is sandwiched between Ni And Au

Ni is injecting spin from the top and gold is for collecting from the bottom. I made the structure following multilayers structure and then made the device. Can someone please check this structure whether it is correctly assembled. I have attached two python scripts for the geometry

Thanks
Gayani

[Anders Blom]

It's very hard for someone else to check all details, but it is immediately obvious that the electrode lengths are too short, they should be doubled.

[gayani2025]

how long electrode length should someone use? In generally .... Thanks

[Anders Blom]

We had a very detailed explanation of this on the website, but it's been lost. Also, it is not entirely correct anymore, but while we create a modern version, you can see the old one at https://web.archive.org/web/20140605201318/http://quantumwise.com/publications/tutorials/mini-tutorials/99-how-to-set-up-the-electrodes-properly-in-a-two-probe-system.
Note that the electrode length in the old version of the code should now be understood as the equivalent electrode length; that is, in the newer QuantumATK implementations, the electrode itself can always be kept minimal, whereas now the equivalent electrode length (which is part of the central cell) should obey the rules laid out in the link above for the "electrode length".

[gayani2025]

Thank you