Stability of Ar(H 2) 2 to 358 GPa
Creators
- Ji, Cheng
- Goncharov, Alexander F.
- Shukla, Vivekanand
- Jena, Naresh K.
- Popov, Dmitry
- and others
- Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Carnegie Institute of Washington, Argonne, IL (United States)
- The University of Chicago (United States)
- UChicago, Argonne, LLC (United States)
Description
"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.
Availability note (English)
Available from https://www.osti.gov/pages/servlets/purl/1425877; https://www.osti.gov/pages/biblio/1425877; DOE Accepted Manuscript full text, or the publishers Best Available Version will be available free of charge after the embargo periodAdditional details
Identifiers
Publishing Information
- Journal Title
- Proceedings of the National Academy of Sciences of the United States of America
- Journal Volume
- 114
- Journal Issue
- 14
- Journal Page Range
- p. 3596-3600
- ISSN
- 0027-8424
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 50001011
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ABSORPTION SPECTROSCOPY; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; EQUATIONS OF STATE; HYDROGEN; MOLECULES; PRESSURE RANGE GIGA PA; X-RAY DIFFRACTION
- Descriptors DEC
- CALCULATION METHODS; COHERENT SCATTERING; DIFFRACTION; ELEMENTS; EQUATIONS; MATERIALS; NONMETALS; PRESSURE RANGE; SCATTERING; SPECTROSCOPY; VARIATIONAL METHODS
Optional Information
- Contract/Grant/Project number
- NA0001974; FG02-99ER45775; FG02-94ER14466; AC02-06CH11357
- Funding organization
- USDOE Office of Science - SC, Basic Energy Sciences (BES) (SC-22) (United States)
- Secondary number(s)
- OSTIID--1352253