Literature DB >> 28289218

Stability of Ar(H2)2 to 358 GPa.

Cheng Ji1,2, Alexander F Goncharov3,4, Vivekanand Shukla5, Naresh K Jena5, Dmitry Popov2, Bing Li1,6,7, Junyue Wang1,3, Yue Meng2, Vitali B Prakapenka8, Jesse S Smith2, Rajeev Ahuja5, Wenge Yang1,7, Ho-Kwang Mao9,3.   

Abstract

"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(H2)2, a hydrogen-rich compound with molecular hydrogen, to explore the effect of "doping" on the intermolecular interaction of H2 molecules and metallization at ultrahigh pressure. Ar(H2)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(H2)2 retains 2-eV bandgap and H2 molecular units up to 358 GPa. This is attributed to reduced intermolecular interactions between H2 molecules in Ar(H2)2 compared with that in solid H2 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(H2)2 provide direct insight into the structure and bonding of this hydrogen-rich system, suggesting a negative chemical pressure on H2 molecules brought about by doping of Ar.

Entities:  

Keywords:  hydrogen-rich compound; intermolecular interaction; metallization; ultrahigh pressure

Year:  2017        PMID: 28289218      PMCID: PMC5389335          DOI: 10.1073/pnas.1700049114

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


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