Journal
NATURE COMMUNICATIONS
Volume 12, Issue 1, Pages -Publisher
NATURE RESEARCH
DOI: 10.1038/s41467-020-20829-2
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Funding
- MINECO of Spain [PGC2018-101334-A-C22]
- MIUR PRIN-2017 program [2017Z8TS5B]
- Agence Nationale de la Recherche, Project ACCEPT [ANR-19-CE24-0028]
- PRACE project [RA4956]
- DOE Office of Science [DE-AC02-06CH11357]
- DOE Office of Science through the National Virtual Biotechnology Laboratory, a consortium of DOE national laboratories focused on the response to COVID-19
- Coronavirus CARES Act
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The transition in VSe2 is mainly driven by electron-phonon interactions, despite the presence of Fermi-surface nesting, and van der Waals forces are responsible for melting of the charge density wave order.
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 q(CDW) = (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-CDW onset only when considering the out-of-plane van der Waals interactions, which reveal crucial for the melting of the CDW phase. The nature of the charge density wave transition in VSe2 is still debated. Here, the authors demonstrate that the transition is mainly driven by electron-phonon interactions, despite the presence of the Fermi-surface nesting, and that Wan-der-Waals forces are responsible for melting of the charge density wave order.
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