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Pressure-Induced Symmetry Breaking and Polarity in the van der Waals Magnet CrSBr

Year: 2026

Type: article

Abstract: The van der Waals magnet CrSBr has emerged as a fascinating platform for exploring coupled structural, magnetic, and electronic phenomena. Yet, the evolution of its crystal symmetry and electronic states under pressure and temperature remains unresolved. To elucidate this, we employ low-temperature single-crystal X-ray diffraction, Raman scattering, and photoluminescence measurements under hydrostatic pressures of up to 12 GPa, complemented by first-principles calculations. We observe a cascade of pressure-induced structural transitions from the orthorhombic Pmmn to the monoclinic P21/m phase at ≈1.5 GPa, followed by the emergence of a polar orthorhombic Pmm2 phase at ≈6.5 GPa. The change in symmetry is accompanied by phonon anomalies and a direct-to-indirect band gap crossover. Our results demonstrate pressure as a knob to engineer structure, symmetry, and electronic properties in CrSBr in a coupled manner.

Source: Inorganic Chemistry

DOI: 10.1021/acs.inorgchem.6c04351

Authors: Amit Pawbake, Sitaram Ramakrishnan, Kseniia Mosina, Aljoscha Soll, Zdenek Sofer, Pierre Rodiere, Rolf Heid, Gaston Garbarino, Pierre Bouvier, Clement Faugeras

Institutions: Centre National de la Recherche Scientifique, Laboratoire National des Champs Magnétiques Intenses, Université Grenoble Alpes, Institut Néel, University of Chemistry and Technology, Prague, Karlsruhe Institute of Technology, European Synchrotron Radiation Facility

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: European Commission, Agence Nationale de la Recherche, European Synchrotron Radiation Facility, Ministerstvo Školství, Mládeže a Tělovýchovy, Grantová Agentura České Republiky, European Regional Development Fund

OpenAlex ID: W7225664222

FWCI:

Cites: 35

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Related to: 10