Finding the symmetries of defects in 2D quantum materials

Defects and domain walls in 2D materials can host many novel quantum states. The structure and symmetry of these defects are important for determining their properties. However, the symmetry of these defects is poorly understood. Here, we present our newly-developed comprehensive symmetry tables for domain walls in 2D materials (scanning tables of layer groups), developed from fundamental symmetry principles. We demonstrate its utility by performing density functional theory calculations to show how the symmetry of domain walls sculpts their emergent quantum properties. Finally, we illustrate how these tables can be used to accelerate high-throughput searches for novel defects in 2D materials.