Understanding the origin of superconducting dome in electron-doped MoS2 monolayer

Girotto Erhardt, Nina;Berges, Jan;Poncé, Samuel;Novko, Dino
(2025) Npj 2D Materials and Applications — Vol. 9, n° 1, p. 44 (2025)

Files

girotto2025.pdf
  • Open Access
  • Adobe PDF
  • 3.77 MB
Download

Details

Authors
  • Girotto Erhardt, NinaUCLouvain
    Author
  • Berges, JanU Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, Universität Bremen, 28359, Bremen, Germany
    Author
  • Poncé, Samuelorcid-logoUCLouvain
    Author
  • Novko, DinoCentre for Advanced Laser Techniques, Institute of Physics, 10000, Zagreb, Croatia
    Author
Abstract
We investigate the superconducting properties of molybdenum disulfide (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.
Affiliations

Citations

  • APA
  • Chicago
  • FWB

Girotto Erhardt, N., Berges, J., Poncé, S., & Novko, D. (2025). Understanding the origin of superconducting dome in electron-doped MoS2 monolayer. Npj 2D Materials and Applications, 9(1), 44. https://doi.org/10.1038/s41699-025-00563-3 (Original work published 2025)