2D theoretically twistable material database
Abstract
The study of twisted two-dimensional (2D) materials, in which twisting layers create moiré superlattices, has created opportunities for investigating topological phases and strongly correlated physics. The broader potential of a seemingly infinite set of twistable 2D materials remains largely unexplored. Here, we define “theoretically twistable materials” as single- or multilayer structures that allow for the construction of simple continuum models of their moiré structures. Our high-throughput algorithm systematically searches for theoretically twistable semimetals and insulators based on the Topological 2D Materials Database (2D-TQCDB). By analyzing key electronic properties, we identify thousands of candidate materials, propose representative twistable materials, and provide examples of crystal growth and exfoliation for several of them. Our results provide a resource for future experimental and theoretical studies of moiré systems.
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Authors: Yi Jiang, Urko Petralanda, Hanqi Pi, Grigorii Skorupskii, Qiaoling Xu, Dumitru Călugăru, Haoyu Hu, Jiaze Xie, Rose Albu Mustaf, Peter Höhn, Vicky Haase, Abdelmajid Ouahchi, Soumyajit Samal, Jiacheng Zhu, Dongyang Yang, Zuhan Geng, Garen Avedissian, Yongsong Wang, Maia G. Vergniory, Martin Claassen, Luis Elcoro, Nicolas Regnault, Miguel M. Ugeda, Jie Shan, Kin Fai Mak, Dmitri K. Efetov, E. Morosan, Dante Marvin Kennes, Ángel Gutiérrez Rubio, Lede Xian, Claudia Felser, Leslie Mareike Schoop, Bogdan Andrei Bernevig
Institutions: University of Pennsylvania, University of Oxford, Cornell University, Ludwig-Maximilians-Universität München, University of the Basque Country, Université Paris Cité, Sorbonne Université, Sorbonne Paris Cité, RWTH Aachen University, Centre National de la Recherche Scientifique, University of Science and Technology of China, Université de Sherbrooke, Technical University of Munich, Sichuan Normal University, Université Paris Sciences et Lettres, Princeton University, Rice University, Songshan Lake Materials Laboratory, Ikerbasque, Donostia International Physics Center, École Normale Supérieure - PSL, Flatiron Health (United States), Flatiron Institute, Max Planck Institute for Chemical Physics of Solids, Munich Center for Quantum Science and Technology, Max Planck Institute for the Structure and Dynamics of Matter, Laboratoire de Physique de l'Ecole Normale Supérieure, European Theoretical Spectroscopy Facility