Phonon dispersion in WS2

Souliou SM, Tornatzky H, Gillen R, Kuffer S, Michail A, Parthenios J, Bosak A, Paolasini L, Maultzsch J, Papagelis K (2025)

Publication Type: Journal article

Publication year: 2025

Journal

2D Materials IOP Science

Book Volume: 12

Article Number: 045012

Journal Issue: 4

DOI: 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 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.

Authors with CRIS profile

Roland Gillen Lehrstuhl für Experimentalphysik Severin Kuffer Chair of Applied Physics (LAP) Janina Maultzsch Lehrstuhl für Experimentalphysik

Utilized Equipment

Linux based parallel computer / High performance computer Fritz (Megware) Regionales Rechenzentrum Erlangen (RRZE), Professur für Höchstleistungsrechnen

Involved external institutions

Karlsruhe Institute of Technology (KIT) DE Germany (DE) Technische Universität Berlin DE Germany (DE) European Synchrotron Radiation Facility (ESRF) FR France (FR) Aristotle University of Thessaloniki GR Greece (GR)

How to cite

APA:

Souliou, S.M., Tornatzky, H., Gillen, R., Kuffer, S., Michail, A., Parthenios, J.,... Papagelis, K. (2025). Phonon dispersion in WS2. 2D Materials, 12(4). https://doi.org/10.1088/2053-1583/adfe7d

MLA:

Souliou, S. M., et al. "Phonon dispersion in WS2." 2D Materials 12.4 (2025).

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