Removing Vacuum from Interface Structure and creating symmetrical interface

[pshinyeong]

Hello,

I've created a Co/CoTi interface structure, as shown in the attached image. In this structure, two layers near the interface are relaxed, and there is a 10Å vacuum on both sides. Now, I want to construct a Co/CoTi/Co interface where CoTi/Co interface remains identical to the existing Co/CoTi interface to avoid repeating the relaxation process (as the structure contains many atoms). Additionally, I need to remove the vacuum regions to prepare the structure for a device configuration.

Is there an efficient way or a specific Builder tool in QuantumATK to
1. Remove the vacuum from the existing structure?
2. Create a symmetrical Co/CoTi/Co interface based on the relaxed Co/CoTi interface?

For clarity, I've included a second image to illustrate the structure I'm aiming to build. Thank you in advance for your guidance!

[Anders Blom]

The vacuum will automatically be removed if you use the "Device from Bulk" tool. The tricky bit here is the CoTi part. You could mirror the structure you have in the XY plane and combine the two pieces, but that could produce a grain boundary in the middle. That might be avoided if you also mirror it in XZ and/or YZ, you can experiment a bit.