2022/11/26 by Matthew Ciesler, Ciesler, Matthew, Damien West +3
Chemistry · Engineering · Materials Science · Mathematics · Physics and Astronomy · #Bilayer #Chemistry #Combinatorics #Computational Physics (physics.comp-ph) #Condensed matter physics #Crystallography #FOS: Physical sciences #Geometry #Graphene research and applications #Hexagonal crystal system #Hexagonal lattice #Hexagonal tiling #Lattice (music) #Lattice constant #Materials science #Mathematics #Membrane #Moiré pattern #Molecular Junctions and Nanostructures #Optics #Physics #Supercell #Theoretical and Computational Physics #Transition metal
paper · pdf · doi:10.48550/arxiv.2211.14476
openalex publication_date 2022/11/26 · openalex created_date 2022/12/10 · openalex updated_date 2026/07/28
A real-space method using generating integers is used to classify the possible moire patterns for two equal hexagonal lattices. The result is that the rotations that take (n,m) to (m,n) with n,m relatively prime form the fundamental moire transformations, and the number of lattice coincidence areas within each supercell is given by (n-m)2. The scheme may be extended to cases where the lattice constants differ. Additionally, we consider a system with a transition metal between the layers of a twisted bilayer of h-BN. We find that the lowest energy configurations for such an arrangement are those at aligned and anti-aligned sites of the moire pattern, depending on the transition metal, and the low-symmetry sites possess high magnetization.