Anisotropic properties of monolayer 2D materials: An overview from the C2DB database
Luca Vannucci, Urko Petralanda, Asbjørn Rasmussen, Thomas Olsen, Kristian S. Thygesen
Abstract
We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic, and transport properties of more than 1000 2D materials from the C2DB database. We identify hundreds of anisotropic materials and classify them according to their point group symmetry and degree of anisotropy. A statistical analysis reveals that a lower point group symmetry and a larger amount of different elements in the structure favor all types of anisotropies, which could be relevant for future material design approaches. Besides, we identify novel compounds, predicted to be easily exfoliable from a parent bulk compound, with anisotropies that largely outscore those of already known 2D materials. Our findings provide a comprehensive reference for future studies of anisotropic response in atomically thin crystals and point to new previously unexplored materials for the next generation of anisotropic 2D devices.