High-pressure synthesis of rhenium carbide Re₃C under megabar compression

Titelangaben

Yin, Yuqing ; Dubrovinsky, Leonid ; Aslandukov, Andrii ; Aslandukova, Alena ; Fedotenko, Timofey ; Glazyrin, Konstantin ; Garbarino, Gaston ; Abrikosov, Igor A. ; Dubrovinskaia, Natalia:
High-pressure synthesis of rhenium carbide Re₃C under megabar compression.
In: Physics and Chemistry of Minerals. Bd. 51 (2024) . - 39.
ISSN 1432-2021
DOI: https://doi.org/10.1007/s00269-024-01300-w

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Abstract

The rhenium carbide Re3C was predicted to be stable under high pressure and expected to have high hardness and low compressibility. In this study, we realise the synthesis of Re3C at megabar pressures of 105(3) and 140(5) GPa in laser-heated diamond anvil cells and characterise its structure using synchrotron single-crystal X-ray diffraction. The structure of Re3C has the monoclinic space group C2/m and is built of CRe7 capped octahedra. Our combined ab initio calculations and quantitative topological analysis support experimental structural data and further deepen the understanding of the chemical bonding in the newly synthesized compound.