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Phonon dispersion in WS2

S M Souliou Orcid Logo, H Tornatzky Orcid Logo, Roland Gillen Orcid Logo, S Kuffer Orcid Logo, A Michail Orcid Logo, J Parthenios, A Bosak Orcid Logo, L Paolasini Orcid Logo, J Maultzsch Orcid Logo, K Papagelis Orcid Logo

2D Materials, Volume: 12, Issue: 4, Start page: 045012

Swansea University Author: Roland Gillen Orcid Logo

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DOI (Published version): 10.1088/2053-1583/adfe7d

Abstract

We present a combined experimental and theoretical study of the phonon dispersion in bulk 2H-WS2 by means of inelastic x-ray scattering and density functional perturbation theory. Our findings highlight the two-dimensional character of the lattice dynamics in this van-der-Waals system and indicate t...

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Published in: 2D Materials
ISSN: 2053-1583
Published: IOP Publishing 2025
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URI: https://cronfa.swan.ac.uk/Record/cronfa70451
Abstract: We present a combined experimental and theoretical study of the phonon dispersion in bulk 2H-WS2 by means of inelastic x-ray scattering and density functional perturbation theory. Our findings highlight the two-dimensional character of the lattice dynamics in this van-der-Waals system and indicate the significance of the bulk phonon measurements for the monolayer counterpart. The agreement between the simulated phonon scattering factors and the experimentally measured phonon spectra allow to map an extensive part of the phonon dispersion curves along high-symmetry crystallographic directions and serve as a reference for future experiments under variable experimental conditions.
Keywords: WS2, transition metal dichalcogenides, phonons, inelastic x-ray scattering, density functional perturbation theory
College: Faculty of Science and Engineering
Funders: S M S acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)—Projektnummer 441231589. . NHR funding is provided by federal and Bavarian state authorities. NHR@FAU hardware is partially funded by the German Research Foundation (DFG)—440719683.
Issue: 4
Start Page: 045012

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