Hi everyone,

I tried to build an interface between two bcc materials. The way to do that in Materials studio (especially for 110 and 111 interfaces) is to build layered structures. For that you have to 1. cleave the surfaces of the two materials and 2. build a layered structure. When I do that, there is a gap between the two materials which comes in when cleaving the surface. The crystal cell of the surface includes this space of the length of a lattice parameter and there is no possibility to shorten the crystal cell or similar to avoid that gap that occurs when layering the two surfaces.

The 100 interface can be done by hand but it gets more complicated when going to the 110 or 111 interface, so that I would love to get some help with this.

The pictures attached show the 100 interface given by Materials Studio and the 100 interface that I've set up manually.

Thanks in advance and best wishes,

Natalie