Phonon Dispersion in MoS2 by Inelastic X-ray Scattering
Hans Tornatzky a b, Roland Gillen b, Hiroshi Uchiyama c, Janina Maultzsch b
a Technische Universität Berlin, Straße des 17. Juni, 124, Berlin, Germany
b Department Physik, Friedrich-Alexander Universität Erlangen Nürnberg, 91058 Erlangen, Germany
c Super Photon Ring 8-GeV (SPring8), JASRI, Hyogo 679-5198, Japan
Proceedings of nanoGe Fall Meeting19 (NGFM19)
#Sol2D19. Two Dimensional Layered Semiconductors
Berlin, Germany, 2019 November 3rd - 8th
Organizers: Efrat Lifshitz, Cristiane Morais Smith and Doron Naveh
Oral, Hans Tornatzky, presentation 442
Publication date: 18th July 2019

We present the first experimental, full basal plane phonon dispersion, determined by inelastic X-Ray scattering with accompanying van-der-Waals corrected DFT-D3 simulations [1]. The implementation of the D3 vdW-correction in DFT, allows the simulation of both the dispersion and structural properties, not given in commonly used LDA / PBE calculations. From our calculations, we show the displacement patterns of phonons at the K and M points, allowing further considerations regarding, e.g., scattering selection rules.


[1]: H. Tornatzky, Roland Gillen, Hiroshi Uchiyama and Janina Maultzsch, Phys. Rev. B, 99, 144309 (2019)

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