2D Theoretically Twistable Material Database

arXiv:2411.09741 · cond-mat.mtrl-sci, cond-mat.mes-hall · Submitted 2024-11-14 · Read on arXiv

cond-mat.mtrl-sci, cond-mat.mes-hall

Submitted: 2024-11-14

Updated: 2026-09-27

Comments: 15+87 pages, 4+192 figures, 2+103 tables. The Topological 2D Materials Database is available at https://topologicalquantumchemistry.com/topo2d/index.html . See also the accompanying paper "Two-dimensional Topological Quantum Chemistry and Catalog of Topological Materials", Science 393, 1317-1321 (2026), https://doi.org/10.1126/science.adu2107

Journal ref: Science 393, eadu1550 (2026)

DOI: 10.1126/science.adu1550

License: http://creativecommons.org/licenses/by/4.0/

The gist: The study of twisted two-dimensional (2D) materials, where twisting layers create moiré superlattices, has created opportunities for investigating topological phases and strongly correlated physics.

Abstract

The study of twisted two-dimensional (2D) materials, where 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 multi-layer 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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