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A reentrant phase t...
A reentrant phase transition and a novel polymorph revealed in high-pressure investigations of CF4 up to 46.5 GPa
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- Laniel, Dominique (författare)
- Univ Bayreuth, Germany
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- Fedotenko, Timofey (författare)
- Univ Bayreuth, Germany
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- Winkler, Bjoern (författare)
- Goethe Univ Frankfurt, Germany
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- Aslandukova, Alena (författare)
- Univ Bayreuth, Germany
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- Aslandukov, Andrey (författare)
- Univ Bayreuth, Germany
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- Aprilis, Georgios (författare)
- European Synchrotron Radiat Facil, France
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- Chariton, Stella (författare)
- Univ Chicago, IL 60637 USA
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- Milman, Victor (författare)
- Dassault Syst BIOVIA, England
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- Prakapenka, Vitali (författare)
- Univ Chicago, IL 60637 USA
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- Dubrovinsky, Leonid (författare)
- Univ Bayreuth, Germany
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- Doubrovinckaia, Natalia (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Univ Bayreuth, Germany
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(creator_code:org_t)
- AIP Publishing, 2022
- 2022
- Engelska.
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 156:4
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The high-pressure behavior of simple molecular systems, devoid of strong intermolecular interactions, provides a unique avenue toward a fundamental understanding of matter. Tetrahalides of the carbon group elements (group 14), lacking all intermolecular interactions but van der Waals, are among the most elementary of molecular compounds. Here, we report the investigation of CF4 up to 46.5 GPa-the highest pressure up to which any tetrahalides of group 14 elements have been studied so far-by a combination of single-crystal x-ray diffraction (SC-XRDp), Raman spectroscopy, and ab initio calculations. These measurements reveal a pressure-induced reentrant phase transition (phase II phase III phase IIR) Room temperature and the formation of a previously unknown CF4 cubic polymorph, named phase IV, after the laser heating of CF4 at 46.5 GPa. In this work, the structures of phases II(R), III, and IV were solved and the atomic coordinates were refined on the basis of SC-XRDp. A comparison of tetrahalides of group 14 elements underlines that reducing the intermolecular halogen-halogen distances leads to a structural rearrangement from close packing of the tetrahedral molecules to close packing of the halogen atoms.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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Laniel, Dominiqu ...
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Fedotenko, Timof ...
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Winkler, Bjoern
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Aslandukova, Ale ...
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Aslandukov, Andr ...
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Aprilis, Georgio ...
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visa fler...
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Chariton, Stella
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Milman, Victor
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Prakapenka, Vita ...
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Dubrovinsky, Leo ...
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Doubrovinckaia, ...
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visa färre...
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