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  • Letter
  • Open Access

Interlayer stacking controls the electronic properties of the van der Waals material 1T−TaS2

Nelson Hua1,2,*, Francesco Petocchi3,4, Henry G. Bell1,5, Gabriel Aeppli1,5,6, Philipp Werner4,†, and Simon Gerber1,‡

  • *Contact author: nelson.hua@psi.ch
  • †Contact author: philipp.werner@unifr.ch
  • ‡Contact author: simon.gerber@psi.ch
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Phys. Rev. Research 8, L012047 – Published 3 March, 2026

DOI: https://doi.org/10.1103/6t8x-mbsd

Abstract

Controlled stacking of van der Waals materials is a powerful tool for exploring the physics of quantum condensed matter. Given the small binding between layers, exploitation for engineering will require a breakthrough in stacking methodology or an ability to take advantage of thicker defective stacks. Here, we describe computational groundwork for the latter, using—on account of its promise for cold memory applications—1T−TaS2 as a model system. Comparing recursive Hendricks-Teller calculations and Monte Carlo simulations to published x-ray diffraction data, we obtain the key parameters describing the random stacking in mesoscopic flakes. These then regulate the electronic structures via specification of the random stacks in dynamical mean-field theory simulations. Hubbard repulsion induces strongly correlated metallic, band, and Mott insulating layers, providing compelling evidence that electronic properties follow from the coexistence of more than the metallic and insulating planes associated with ordinary band theory.

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Phys. Rev. Research 8, L012047– Published 3 March, 2026
  • Received 31 March 2025
  • Accepted 6 November 2025
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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