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van der Waals driven anharmonic melting of the 3D charge density wave in VSe2

Author

Listed:
  • Josu Diego

    (Centro de Física de Materiales (CSIC-UPV/EHU))

  • A. H. Said

    (Advanced Photon Source, Argonne National Laboratory)

  • S. K. Mahatha

    (Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY)

  • Raffaello Bianco

    (Centro de Física de Materiales (CSIC-UPV/EHU))

  • Lorenzo Monacelli

    (Università di Roma La Sapienza
    Graphene Labs, Fondazione Instituto Italiano di Tecnologia)

  • Matteo Calandra

    (Graphene Labs, Fondazione Instituto Italiano di Tecnologia
    Università di Trento
    Sorbonne Universités, CNRS, Institut des Nanosciences de Paris)

  • Francesco Mauri

    (Università di Roma La Sapienza
    Graphene Labs, Fondazione Instituto Italiano di Tecnologia)

  • K. Rossnagel

    (Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY
    Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel)

  • Ion Errea

    (Centro de Física de Materiales (CSIC-UPV/EHU)
    University of the Basque Country (UPV/EHU)
    Donostia International Physics Center (DIPC))

  • S. Blanco-Canosa

    (Donostia International Physics Center (DIPC)
    IKERBASQUE, Basque Foundation for Science)

Abstract

Understanding of charge-density wave (CDW) phases is a main challenge in condensed matter due to their presence in high-Tc superconductors or transition metal dichalcogenides (TMDs). Among TMDs, the origin of the CDW in VSe2 remains highly debated. Here, by means of inelastic x-ray scattering and first-principles calculations, we show that the CDW transition is driven by the collapse at 110 K of an acoustic mode at qCDW = (2.25 0 0.7) r.l.u. The softening starts below 225 K and expands over a wide region of the Brillouin zone, identifying the electron-phonon interaction as the driving force of the CDW. This is supported by our calculations that determine a large momentum-dependence of the electron-phonon matrix-elements that peak at the CDW wave vector. Our first-principles anharmonic calculations reproduce the temperature dependence of the soft mode and the TCDW onset only when considering the out-of-plane van der Waals interactions, which reveal crucial for the melting of the CDW phase.

Suggested Citation

  • Josu Diego & A. H. Said & S. K. Mahatha & Raffaello Bianco & Lorenzo Monacelli & Matteo Calandra & Francesco Mauri & K. Rossnagel & Ion Errea & S. Blanco-Canosa, 2021. "van der Waals driven anharmonic melting of the 3D charge density wave in VSe2," Nature Communications, Nature, vol. 12(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-020-20829-2
    DOI: 10.1038/s41467-020-20829-2
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    Cited by:

    1. Xingchen Shen & Rolf Heid & Roland Hott & Amir-Abbas Haghighirad & Björn Salzmann & Marli Reis Cantarino & Claude Monney & Ayman H. Said & Mehdi Frachet & Bridget Murphy & Kai Rossnagel & Stephan Rose, 2023. "Precursor region with full phonon softening above the charge-density-wave phase transition in 2H-TaSe2," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    2. A. Korshunov & H. Hu & D. Subires & Y. Jiang & D. Călugăru & X. Feng & A. Rajapitamahuni & C. Yi & S. Roychowdhury & M. G. Vergniory & J. Strempfer & C. Shekhar & E. Vescovo & D. Chernyshov & A. H. Sa, 2023. "Softening of a flat phonon mode in the kagome ScV6Sn6," Nature Communications, Nature, vol. 14(1), pages 1-8, December.

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