graphene_flake

sisl.geom.graphene_flake(shells, bond=1.42, atoms=None, vacuum=20.0)

Hexagonal flake of graphene, with zig-zag edges.

Parameters

• shells (int) – Number of shells in the flake. 0 means a single hexagon, and subsequent shells add hexagon units surrounding the previous shell.

• bond (float) – bond length between atoms (not lattice constant)

• atoms – the atom (or atoms) that the honeycomb lattice consists of. Default to Carbon atom.

• vacuum (float) – Amount of vacuum to add to the cell on all directions

Return type

Geometry

See also

honeycomb_flake

the equivalent of this, but with non-default atoms.