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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
first_indexed 2025-09-22T11:55:28Z
last_indexed 2025-10-31T18:12:07Z
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spelling 2025-10-30T12:11:55.9474040 v2 70451 2025-09-22 Phonon dispersion in WS2 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 2025-09-22 ACEM 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. Journal Article 2D Materials 12 4 045012 IOP Publishing 2053-1583 WS2, transition metal dichalcogenides, phonons, inelastic x-ray scattering, density functional perturbation theory 17 9 2025 2025-09-17 10.1088/2053-1583/adfe7d COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University Other 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. 2025-10-30T12:11:55.9474040 2025-09-22T12:45:02.6826706 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering S M Souliou 0000-0001-9201-7392 1 H Tornatzky 0000-0002-3153-0501 2 Roland Gillen 0000-0002-7913-0953 3 S Kuffer 0009-0000-2339-1188 4 A Michail 0000-0002-8428-6602 5 J Parthenios 6 A Bosak 0000-0001-8199-2301 7 L Paolasini 0000-0003-2699-7200 8 J Maultzsch 0000-0002-6088-2442 9 K Papagelis 0000-0001-5094-9837 10 70451__35501__7c8a15b6807c49b295af51f7415831c5.pdf 70451.VoR.pdf 2025-10-30T12:05:47.4763500 Output 2971251 application/pdf Version of Record true © 2025 The Author(s). Released under the terms of the Creative Commons Attribution 4.0 licence. true eng https://creativecommons.org/licenses/by/4.0/
title Phonon dispersion in WS2
spellingShingle Phonon dispersion in WS2
Roland Gillen
title_short Phonon dispersion in WS2
title_full Phonon dispersion in WS2
title_fullStr Phonon dispersion in WS2
title_full_unstemmed Phonon dispersion in WS2
title_sort Phonon dispersion in WS2
author_id_str_mv 8fd99815709ad1e4ae52e27f63257604
author_id_fullname_str_mv 8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen
author Roland Gillen
author2 S M Souliou
H Tornatzky
Roland Gillen
S Kuffer
A Michail
J Parthenios
A Bosak
L Paolasini
J Maultzsch
K Papagelis
format Journal article
container_title 2D Materials
container_volume 12
container_issue 4
container_start_page 045012
publishDate 2025
institution Swansea University
issn 2053-1583
doi_str_mv 10.1088/2053-1583/adfe7d
publisher IOP Publishing
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
active_str 0
description 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.
published_date 2025-09-17T05:27:24Z
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score 11.090091

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