High-pressure synthesis of rhenium carbide Re3C under megabar compression
Abstract The rhenium carbide Re 3 C 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 Re 3 C 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 Re 3 C has the monoclinic space group C 2/ m and is built of CRe 7 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.
Authors
- Yuqing Yin (ORCID: https://orcid.org/0000-0001-8861-8443)
- Timofey Fedotenko (ORCID: https://orcid.org/0000-0002-4602-2059)
- Natalia Dubrovinskaia (ORCID: https://orcid.org/0000-0002-8256-5675)
- Alena Aslandukovа (ORCID: https://orcid.org/0000-0002-4730-4197)
- Andrey Aslandukov (ORCID: https://orcid.org/0000-0003-0988-6066)
- Gastón Garbarino (ORCID: https://orcid.org/0000-0003-4780-9520)
- Konstantin V. Glazyrin (ORCID: https://orcid.org/0000-0002-5296-9265)
- Igor A. Abrikosov (ORCID: https://orcid.org/0000-0001-7551-4717)
- Leonid Dubrovinsky (ORCID: https://orcid.org/0000-0002-3717-7585)
Institutions
- Linköping University (SE)
- Deutsches Elektronen-Synchrotron DESY (DE)
- European Synchrotron Radiation Facility (FR)
- University of Bayreuth (DE)
Publication Details
- Journal
- Physics and Chemistry of Minerals
- Published
- 2024-10-26
- DOI
- https://doi.org/10.1007/s00269-024-01300-w
- Citations
- 1
- Primary Topic
- Boron and Carbon Nanomaterials Research
- Type
- article
- Field-Weighted Citation Impact
- 0.12
Funders
- Deutsche Forschungsgemeinschaft
- European Synchrotron Radiation Facility
- Linköpings Universitet
- Knut och Alice Wallenbergs Stiftelse
- Vetenskapsrådet
- Deutsches Elektronen-Synchrotron
- National Supercomputer Centre, Linköpings Universitet