Low-frequency Raman active modes of twisted bilayer MoS<sub>2</sub>.

Klein, Brandon; Liang, Liangbo; Meunier, Vincent

Low-frequency Raman active modes of twisted bilayer MoS₂.

Klein, Brandon; Liang, Liangbo; Meunier, Vincent.

Afiliación

Klein B; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, United States of America.
Liang L; Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218, United States of America.
Meunier V; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, United States of America.

J Phys Condens Matter ; 36(36)2024 Jun 10.

Article en En | MEDLINE | ID: mdl-38788746

ABSTRACT

ABSTRACT

We study the low-frequency Raman active modes of twisted bilayer MoS2for several twist angles using a force-field approach and a parametrized bond polarizability model. We show that twist angles near high-symmetry stacking configurations exhibit stacking frustration that leads to significant buckling of the moiré superlattice. We find that atomic relaxation due to the twist is of prime importance. The periodic displacement of the Mo atoms shows the realization of a soliton network, and in turn, leads to the emergence of a number of frequency modes not seen in the high-symmetry stacking systems. Some of the modes are only seen in theXZRaman polarization setup while others are seen in theXYsetup. The symmetry of the normal modes, and how this affects the Raman tensors is examined in detail.

Palabras clave

MoS2; Phonons; Raman; Twisted bilayer; calculations

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2024 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Reino Unido

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