LAN -- A materials notation for 2D layered assemblies

Abstract

Two-dimensional (2D) layered materials offer intriguing possibilities for novel physics and applications. Before any attempt at exploring the materials space in a systematic fashion, or combining insights from theory, computation and experiment, a formal description of information about an assembly of arbitrary composition is required. Here, we introduce a domain-generic notation that is used to describe the space of 2D layered materials from monolayers to twisted assemblies of arbitrary composition, existent or not-yet-fabricated. The notation corresponds to a theoretical materials concept of stepwise assembly of layered structures using a sequence of rotation, vertical stacking, and other operations on individual 2D layers. Its scope is demonstrated with a number of example structures using common single-layer materials as building blocks. This work overall aims to contribute to the systematic codification, capture and transfer of materials knowledge in the area of 2D layered materials.

6 pages, 3 figures, 1 table

References in corpus (5)

• Correlated states in twisted double bilayer graphene
• Magic Angle Hierarchy in Twisted Graphene Multilayers
• Flatbands in twisted double bilayer graphene
• Coexistence of ultraheavy and ultrarelativistic Dirac quasiparticles in sandwiched trilayer graphene
• Electronic structure calculations of twisted multi-layer graphene superlattices

Cited by in corpus (5)

• SELFIES and the future of molecular string representations
• Magic-Angle Twisted Symmetric Trilayer Graphene as Topological Heavy Fermion Problem
• Computational Design of Moiré Assemblies Aided by Artificial Intelligence
• Doubled Moiré Flat Bands in Double-twisted Few Layer Graphite
• Spontaneous interlayer compression in commensurately stacked van der Waals heterostructures