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2D theoretically twistable material database

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

Peer-reviewed journal

In the authors' words

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.

Main resultThe abstract does not state a limitation.

Appeared: Saturday, September 26. Science. Peer-reviewed journal.

DOI: 10.1126/science.adu1550