van der Waals driven anharmonic melting of the 3D charge density wave in VSe2
Open Access
- 26 January 2021
- journal article
- research article
- Published by Springer Science and Business Media LLC in Nature Communications
- Vol. 12 (1), 1-7
- https://doi.org/10.1038/s41467-020-20829-2
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.This publication has 51 references indexed in Scilit:
- On the origin of charge-density waves in select layered transition-metal dichalcogenidesJournal of Physics: Condensed Matter, 2011
- Effect of dimensionality on the charge-density wave in few-layerPhysical Review B, 2009
- Giant Kohn Anomaly and the Phase Transition in Charge Density WavePhysical Review Letters, 2009
- wannier90: A tool for obtaining maximally-localised Wannier functionsComputer Physics Communications, 2008
- Fermi surface nesting and the origin of charge density waves in metalsPhysical Review B, 2008
- Charge-density wave transition ofstudied by angle-resolved photoemission spectroscopyPhysical Review B, 2003
- Maximally localized generalized Wannier functions for composite energy bandsPhysical Review B, 1997
- Critical x-ray scattering at the Peierls transition of the blue bronzePhysical Review B, 1989
- X-ray-diffraction study of the periodic lattice distortion associated with a charge-density wave in-VPhysical Review B, 1982
- Spin density wave and soft phonon mode from nesting Fermi surfacesJournal of Physics F: Metal Physics, 1973