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April 11, 2026Nano Letters0 citationsOpen Access

Dynamical Control of Coulomb Interactions and Hubbard Bands in Monolayer 1T-TaS 2

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NNNiklas NotterMAMarkus AichhornAGAnna Galler

Key Points

  • The research aims to explore the effects of charge-density wave amplitude on Coulomb interactions and Hubbard bands in monolayer 1T-TaS2.
  • Utilized constrained random-phase approximation to investigate interactions.
  • Applied density-functional and dynamical mean-field theory calculations to analyze electronic states.
  • Examined the relationship between charge-density wave amplitude and effective Hubbard U.
  • Found that the CDW amplitude alters both bare and screened on-site interactions significantly.
  • Observed shifts in Hubbard bands in relation to changes in CDW amplitude.
  • Identified a transition from a Mott insulator to a correlated metal driven by reduced lattice distortion.

Abstract

Monolayer 1T-TaS2 hosts a star-of-David charge-density wave (CDW) that stabilizes a low-temperature Mott-insulating state. Recent time-resolved spectroscopies indicate a coupling between the CDW amplitude mode and the electronic correlation strength, yet the role of the screened Coulomb interaction remains unclear. Using the constrained random-phase approximation, we show that the CDW amplitude modifies the bare and screened on-site interactions, leading to sizable variations in the effective Hubbard U. Our combined density-functional and dynamical mean-field theory calculations reveal that the Hubbard bands shift in concert with the CDW amplitude and that a reduced distortion drives a transition from a Mott insulator to a correlated metal. These results demonstrate a direct link between lattice distortions and Coulomb interactions in transition-metal dichalcogenides, providing a microscopic mechanism for light-induced control of correlated phases in two-dimensional quantum materials.

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Cite This Study

Notter et al. (2026) studied this question.

synapsesocial.com/papers/69d9e4d578050d08c1b752d3https://doi.org/10.1021/acs.nanolett.5c05443
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