Stanene structure

[ams_nanolab]

How to make unit cell of stanene (monolayer tin) as in http://arxiv.org/ftp/arxiv/papers/1506/1506.01601.pdf

I tried cleaving tin alpha (111) but the output seems different.

[zh]

You need to do geometry optimization, where the two atoms in one unit cell will move into different direction (i.e., one moves up and the other moves down, then the buckled structure could be obtained).

The cleaved structure without any geometry optimization is perfect planar structure. It is definitely different to the one shown in that reference.

[Anders Blom]

Probably better to find a reference paper that gives an optimized structure of stannene already, then you can reoptimize since all codes give slightly different geometries.