van der Waals driven anharmonic melting of the 3D charge density wave in VSe2
In: Nature Communications ; volume 12, issue 1 ; ISSN 2041-1723, 2021
Online
academicJournal
Zugriff:
Understanding of charge-density wave (CDW) phases is a main challenge in condensed matter due to their presence in high- T c superconductors or transition metal dichalcogenides (TMDs). Among TMDs, the origin of the CDW in VSe 2 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 q C D W = (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 T C D W onset only when considering the out-of-plane van der Waals interactions, which reveal crucial for the melting of the CDW phase.
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van der Waals driven anharmonic melting of the 3D charge density wave in VSe2
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Autor/in / Beteiligte Person: | Diego, Josu ; Said, A. H. ; Mahatha, S. K. ; Bianco, Raffaello ; Monacelli, Lorenzo ; Calandra, Matteo ; Mauri, Francesco ; Rossnagel, K. ; Errea, Ion ; Blanco-Canosa, S. |
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Zeitschrift: | Nature Communications ; volume 12, issue 1 ; ISSN 2041-1723, 2021 |
Veröffentlichung: | Springer Science and Business Media LLC, 2021 |
Medientyp: | academicJournal |
DOI: | 10.1038/s41467-020-20829-2 |
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