Oral: 2D Theoretically Twistable Material Database
ORAL
Abstract
The study of twisted heterostructures, where twisting two-dimensional (2D) materials form moire superlattices, has created new opportunities for investigating topological phases and strongly correlated physics. While systems such as twisted bilayer graphene (TBG) and twisted transition metal dichalcogenides (TMDs) have been extensively studied, the broader potential of a seemingly infinite set of other twistable 2D materials remains largely unexplored. In this paper, we define "theoretically twistable materials'' as single- or multi-layer structures that allow for the construction of simple continuum models of their moire structures. This excludes, for example, materials with a "spaghetti'' of bands or those with numerous crossing points at the Fermi level, for which theoretical moire modeling is unfeasible. We present a high-throughput algorithm that systematically searches for theoretically twistable semimetals and insulators based on the Topological 2D Materials Database. By analyzing key electronic properties, we identify thousands of new candidate materials that could host rich topological and strongly correlated phenomena when twisted. We propose representative twistable materials for realizing different types of moire systems, including materials with different Bravais lattices, valleys, and strength of spin-orbital coupling. We exemplify sample growth of many of these crystals, and show examples of simple twisted models. Our results significantly broaden the scope of moire heterostructures and provide a valuable resource for future experimental and theoretical studies on novel moire systems.
*DOE, ERC, IKUR, Quantum Spain, ONR, BSF Israel US, NSF-MERSEC, DFG, EIC Pathfinder, NextGenerationEU, Arnold and Mabel Beckman Foundation, FLATS, Robert A. Welch Foundation, epartment of Defense, Air Force Office of Scientific Research, Gordon and Betty Moore, David and Lucille Packard, Simons, Schmidt, Keele foundations
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Publication: 2D Theoretically Twistable Material Database. Yi Jiang, Urko Petralanda, Grigorii Skorupski, Hanqi Pi, Dumitru Călugăru, Haoyu Hu, Jiaze Xie, Rose Albu Mustaf, Peter Höhn, Vicky Haase, Maia G. Vergniory, Luis Elcoro, Nicolas Regnault, Jie Shan, Kin Fai Mak, Dmitri K. Efetov, Emilia Morosan, Claudia Felser, Leslie M. Schoop, and B. Andrei Bernevig. In preparation. 2024
Presenters
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Hanqi Pi
- Donostia International Physics Center