APS Logo

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.

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

  • Hanqi Pi

    Donostia International Physics Center

Authors

  • Hanqi Pi

    Donostia International Physics Center

  • Yi Jiang

    Donostia International Physics Center

  • Urko Petralanda

    University of the Basque Country UPV/EHU

  • Grigorii Skorupskii

    Princeton University

  • Dumitru Calugaru

    Princeton University, Oxford University

  • Jiaze Xie

    Princeton University

  • Rose A Mustaf

    Rice University

  • Peter Höhn

    Max Planck Institute for Chemical Physics of Solids

  • Vicky Hasse

    Max Planck Institute for Chemical Physics of Solids, Max Planck Institute for Chemical Physics of Solids, Dresden

  • Maia G Vergniory

    Donostia International Physics Center

  • Luis Elcoro

    University of the Basque Country UPV/EHU,, University of the Basque Country

  • Nicolas Regnault

    Princeton University, Laboratoire de Physique de l'Ecole normale supérieure, ENS, Université PSL, CNRS, Sorbonne Université

  • Jie Shan

    Cornell University

  • Kin Fai Mak

    Cornell University

  • Dmitri K Efetov

    Ludwig-Maximilians-Universitaet (LMU-Munich), LMU Munich

  • Emilia Morosan

    Rice University

  • Claudia Felser

    Max Planck Institute for Chemical Physics of Solids

  • Leslie M Schoop

    Princeton University

  • Andrei B Bernevig

    Princeton University

  • Qiaoling Xu

    Sichuan Normal University

  • Martin Claassen

    University of Pennsylvania

  • Dante M Kennes

    Max Planck Institute for the Structure and Dynamics of Matter

  • Angel Rubio

    Max Planck Institute for the Structure & Dynamics of Matter, Max Planck Institute for the Structure & Dynamics of Matter; Flatiron Institute's Center for Computational Quantum Physics (CCQ) & Initiative for Computational Catalysis (ICC)

  • Lede Xian

    Tsientang Institute for Advanced Study