Journal Article

PUBDB-2025-03825

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Pressure‐Induced Metallization and Isostructural Transitions in 3R‐MoS$_2$

Ahmad, A. S. (Corresponding author)Extern* ; Bhullar, M. ; Stahl, K. ; Lu, W.Extern* ; Chen, T. ; Feng, L. ; Hu, X.Extern* ; Zhang, Q.Extern* ; Glazyrin, K.XFEL.EU*DESY* ; Kunz, M. ; Zhao, Y. ; Wang, S.Extern* ; Yao, Y. ; Stavrou, E. (Corresponding author)Extern*

2025
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/advs.202505031  doi:10.3204/PUBDB-2025-03825

Abstract: At ambient conditions 3R-polytypes of transition metal dichalcogenides (TMDs) demonstrate fascinating properties because of their unique layer stacking. Understanding the structure-property relationship is essential for the realization of their use in spintronic, valleytronic, and optoelectronic applications. Herein, after the high pressure-temperature synthesis of 3R-MoS$_2$ in a large volume cubic press, a concomitant experimental and theoretical high-pressure study of 3R-MoS$_2$ is reported, leading to the discovery of pressure-induced reversible isostructural phase transitions without symmetry breaking. Concurrent with the isostructural transitions, a semiconductor-to-metal transition is observed, owing to strong interlayer interaction and charge redistribution across the van der Waals gap under pressure. The pressure-induced enhancement of interlayer interactions together with the robust intrinsic layer stacking in 3R-MoS$_2$ prevent the layers from sliding under pressure and hinder a corresponding volume collapse. This study on continuous pressure-tuning of crystal and electronic structure in 3R-MoS$_2$ will play a vital role in developing the next-generation devices involving coupling of structural, optical, and electrical properties of 3R-polytypes of TMDs and other layered materials.

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Contributing Institute(s):

1. FS DOOR-User (FS DOOR-User)
2. Experimentebetreuung PETRA III (FS-PET-D)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. FS-Proposal: I-20240513 (I-20240513) (I-20240513)

Experiment(s):

1. PETRA Beamline P02.2 (PETRA III)

Appears in the scientific report 2025

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