How to specify Cu(111) surface as deposition surface

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1

Good day lammps-users,

I just want to ask how to specify Cu(111) surface as the deposition region for graphene.

By searching here on the lammps-users mailing list, I found one answer indicating this orientation of the lattice. But I’m assuming the plane along the z-axis is not the FCC(111) surface in which I want to deposit.

lattice fcc 3.61 orient x 1 1 1 orient y 1 -1 0 orient z 1 1 -2

I just want to ask how to indicate the proper orientation of the lattice to specify the Cu(111) surface as the deposition region or the top surface in which I will deposit graphene. Thank you.

2

The question is really how to build a system with a free 111 surface.

The lattice command, create_atoms, create_box can do that (for any crystal

orientation). Once you have that (verify by dump and viz), then you

can deposit atoms, e.g. via fix deposit, however you like.

Steve

3

Yes it helped me a lot, thank you