Moiré superlattice structures

Take Moiré bilayer graphene as an example:

1. Import single-layer graphene structure: you can import from the database, and perform Two-dimensional materials modeling
2. Redefine lattice: two sets of lattice constants with the same lattice constant and different base vector directions are constructed by lattice transformation. Click Modify→ Symmetry→ Redefine Lattice, set scaling matrix Parameters in the pop-up window (you need to calculate the change relative to the primitive vector);
3. Structure combination: Click Build→ Build Heterostructure in the menu bar, add structures in turn and select C for stacking direction. Select Keep constant thickness for lattice matching method and 2D materials for stacking style. Set a proper buffer region distance between layers and select the new lattice constant in the detail settings.

Lattice transform one

Lattice transform two

Build heterojunctions and set parameters