Published March 19, 2025 | Version v1
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Understanding the origin of superconducting dome in electron-doped MoS₂ monolayer

  • 1. Centre for Advanced Laser Techniques, Institute of Physics, 10000 Zagreb, Croatia
  • 2. U Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany
  • 3. European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium
  • 4. WEL Research Institute, 1300 Wavre, Belgium

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Description

We investigate the superconducting properties of molybdenum disulphide (MoS₂) monolayer across a broad doping range, successfully recreating the so far unresolved superconducting dome. Our first-principles findings reveal several dynamically stable phases across the doping-dependent phase diagram. We observe a doping-induced increase in the superconducting transition temperature Tc, followed by a reduction in Tc due to the formation of charge density waves (CDWs), polaronic distortions, and structural transition from the H to the 1T′ phase. Our work reconciles various experimental observations of CDWs in MoS₂ with its doping-dependent superconducting dome structure, which occurs due to the 1×1 H to 2×2 CDW phase transition.

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References

Preprint (Preprint where the data is discussed)
N. Girotto Erhardt, J. Berges, S. Poncé, D. Novko, arXiv:2412.02822 (2024), doi: 10.48550/arXiv.2412.02822