A metallic CrS2 phase bridging the gap between two- and three-dimensional dichalcogenides
Abstract
We report on the high-pressure synthesis of a CrS2 phase in the form of single-crystalline nanorods. A structural refinement of Precession Electron Diffraction Tomography data confirms the nominal CrS2 composition and unveils a ladder-type structure formed by portions of 1T-type CrS2 layers characteristic of two-dimensional (2D) dichalcogenides connected by chains of edge-sharing CrS6 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, , measurements on single nanorods confirm this behavior and yield 2-20 m cm at 4 K. The proposed ladder-like structure of CrS2 forms open channels along the chain direction, which may be suitable for ionic conduction.
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