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arXiv · 2604.08695

A metallic CrS$_2$ phase bridging the gap between two- and three-dimensional dichalcogenides

Hicham Moutaabbid·Dario Taverna·Denis Pelloquin·Lorenzo Paulatto·Alexandre Gloter·Sophie Guéron·Alik Kasumov·Andrea Gauzzi
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Abstract

We report on the high-pressure synthesis of a CrS$_2$ phase in the form of single-crystalline nanorods. A structural refinement of Precession Electron Diffraction Tomography data confirms the nominal CrS$_2$ composition and unveils a ladder-type structure formed by portions of 1T-type CrS$_2$ layers characteristic of two-dimensional (2D) dichalcogenides connected by chains of edge-sharing CrS$_6$ octahedra characteristic of 3D dichalcogenides with marcasite structure. Ab initio density functional theory calculations of the relaxed structure confirm the stability of this structure and indicate a strong overlap of the 3d states of Cr with the 3p states of S, thus suggesting strong covalent Cr-S bonds and metallic behavior. Electrical resistivity, $\varrho$, measurements on single nanorods confirm this behavior and yield $\varrho \sim 2-20$ m$\Omega$ cm at 4 K. The proposed ladder-like structure of CrS$_2$ forms open channels along the chain direction, which may be suitable for ionic conduction.

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Hicham Moutaabbid, Dario Taverna, Denis Pelloquin, Lorenzo Paulatto, Alexandre Gloter, Sophie Guéron, Alik Kasumov, Andrea Gauzzi. 2026-04-09. A metallic CrS$_2$ phase bridging the gap between two- and three-dimensional dichalcogenides. https://arxiv.org/abs/2604.08695

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