Export citation

Export citation

Choose format for download:

Download Citation

    Correlation-driven origin of shallow electron pocket in Co1/3TaS2 revealed by ARPES and cluster perturbation theory

    Wojciech Sas1,2, Yuki Utsumi Boucher1, Seyed Ashkan Moghadam Ziabari1, Gaurav Pransu1, Trpimir Ivšić3, Ivana Vobornik4, Jun Fujii4, Naveen Singh Dhami1,*, Bruno Gudac5 et al.

    Mario Novak5, László Forró6, Neven Barišić5,7, Ivo Batistić5,†, and Petar Popčević1,‡

    • *Present address: Université Paris-Saclay, CNRS, Laboratoire de Physique des Solides, 91405 Orsay, France.
    • †Contact author: ivo@phy.hr
    • ‡Contact author: ppopcevic@ifs.hr

    Phys. Rev. B 114, 165104 – Published 2 September, 2026

    DOI: https://doi.org/10.1103/6y9w-lx94

    Abstract

    We investigate the electronic structure and Fermi surface of Co1/3TaS2 using angle-resolved photoemission spectroscopy (ARPES) combined with theoretical modeling beyond standard density functional theory (DFT+U). A shallow electron pocket, the so-called β feature, is observed at the Fermi level near the corner of the superlattice Brillouin zone, representing the first experimental observation of this feature in an intercalated TaS2 compound. Similar pockets have been reported in X1/3NbS2 (X=Co, Cr, Ni), where their surface versus bulk origin remains actively debated. Because conventional DFT+U does not capture this feature, we employ cluster perturbation theory (CPT) to incorporate an explicit treatment of strong electron correlations (U) on the Co sites. CPT successfully reproduces the β feature, demonstrating its origin from correlation-driven bulk states rather than surface effects. To further substantiate this conclusion, we studied a reduced Co-content sample, Co0.22TaS2, where the reduced charge transfer modifies the Co-derived states near the Fermi level. Its electronic structure remains largely similar to that of pristine 2H-TaS2, showing only a minor overall energy shift and lacking the β feature, consistent with disrupted long-range Co ordering and modified orbital character near the Fermi level. We demonstrate that the β feature arises from strong local correlations on the Co sites and requires long-range crystallographic order among intercalated Co atoms to maintain coherence. These results highlight the importance of strong electronic correlations in magnetically intercalated transition-metal dichalcogenides and provide a microscopic understanding of features not captured by conventional DFT+U.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    Supplemental Material (Subscription Required)

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation