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Stability of Ar(H2)2 to 358 GPa
Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.;Carnegie Inst Sci, Geophys Lab, High Pressure Collaborat Access Team, Argonne, IL 60439 USA..
Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.;Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2017 (English)In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 114, no 14, p. 3596-3600Article in journal (Refereed) Published
Abstract [en]

"Chemical precompression" through introducing impurity atoms into hydrogen has been proposed as a method to facilitate metallization of hydrogen under external pressure. Here we selected Ar(H-2)(2), a hydrogen-rich compound with molecular hydrogen, to explore the effect of "doping" on the intermolecular interaction of H-2 molecules and metallization at ultrahigh pressure. Ar(H-2)(2) was studied experimentally by synchrotron X-ray diffraction to 265 GPa, by Raman and optical absorption spectroscopy to 358 GPa, and theoretically using the density-functional theory. Our measurements of the optical bandgap and the vibron frequency show that Ar(H-2)(2) retains 2-eV bandgap and H-2 molecular units up to 358 GPa. This is attributed to reduced intermolecular interactions between H-2 molecules in Ar(H-2)(2) compared with that in solid H-2. A splitting of the molecular vibron mode above 216 GPa suggests an orientational ordering transition, which is not accompanied by a change in lattice symmetry. The experimental and theoretical equations of state of Ar(H-2)(2) provide direct insight into the structure and bonding of this hydrogen-rich system, suggesting a negative chemical pressure on H-2 molecules brought about by doping of Ar.

Place, publisher, year, edition, pages
2017. Vol. 114, no 14, p. 3596-3600
Keywords [en]
ultrahigh pressure, hydrogen-rich compound, intermolecular interaction, metallization
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-320633DOI: 10.1073/pnas.1700049114ISI: 000398159000037PubMedID: 28289218OAI: oai:DiVA.org:uu-320633DiVA, id: diva2:1130027
Funder
Swedish National Infrastructure for Computing (SNIC), SNIC-2015-10-19Swedish Research CouncilAvailable from: 2017-08-08 Created: 2017-08-08 Last updated: 2017-08-08Bibliographically approved

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Shukla, VivekanandJena, Naresh K.Ahuja, Rajeev

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