Journal Article PUBDB-2026-01426

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Charge correlations and magnetoelastic coupling in intercalated transition metal dichalcogenides

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2026
APS College Park, MD

Physical review materials 10(3), 034006 () [10.1103/gyfq-2c26]
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Abstract: The large van der Waals gap in transition metal dichalcogenides (TMDs) offers an avenue to tune the ground state of 2D materials through the intercalation of magnetic atoms. Here, we investigate the charge correlations in Fe1/3⁢TaS2, Co1/3⁢TaS2, and Fe0.35⁢NbS2 by combining angle-resolved photoemission spectroscopy (ARPES), x-ray scattering, magnetometry, and density functional theory (DFT). We find that, while short-range charge fluctuations develop in Ta-based compounds, Fe0.35⁢NbS2 exhibits long-range charge order which is strongly coupled with magnetic order and tunable by external magnetic field. Our electronic structure analysis reveals that intercalation reconstructs the Fermi surface via charge transfer and band renormalization, yet does not generate the nesting conditions compatible with the observed ordering vectors. Complementary phonon calculations further exclude a conventional electron-phonon origin of charge order. Together, these results establish magnetoelastic coupling as the dominant mechanism behind charge ordering in Fe0.35⁢NbS2 and highlight the contrasting role of Nb and Ta hosts in stabilizing correlated ground states in intercalated TMDs.

Classification:

Contributing Institute(s):
  1. DOOR-User (DOOR ; HAS-User)
  2. PETRA-S (FS-PETRA-S)
Research Program(s):
  1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
  2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
  3. FS-Proposal: I-20230669 (I-20230669) (I-20230669)
Experiment(s):
  1. PETRA Beamline P09 (PETRA III)

Appears in the scientific report 2026
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Medline ; American Physical Society Transfer of Copyright Agreement ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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 Record created 2026-05-05, last modified 2026-05-07


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