Kavli Affiliate: Jie Shan
| First 5 Authors: Yi Jiang, Urko Petralanda, Grigorii Skorupskii, Qiaoling Xu, Hanqi Pi
| Summary:
The study of twisted two-dimensional (2D) materials, where twisting layers
create moir’e superlattices, has opened 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 moir’e structures. This excludes, for example, materials with
a "spaghetti" of bands or those with numerous crossing points at the Fermi
level, for which theoretical moir’e 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 moir’e systems, including materials with
different Bravais lattices, valleys, and strength of spin-orbital coupling. We
provide examples of crystal growth for several of these materials and showcase
twisted bilayer band structures along with simplified twisted continuum models.
Our results significantly broaden the scope of moir’e heterostructures and
provide a valuable resource for future experimental and theoretical studies on
novel moir’e systems.
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