High temperature superconductivity in the candidate phases of solid hydrogen

Journal Article · 10 February 2022 · Journal of Physics. Condensed Matter

DOI: https://doi.org/10.1088/1361-648x/ac4c62 · OSTI ID:1962339

Dogan, Mehmet  ^[1]; Oh, Sehoon  ^[1]; Cohen, Marvin L. ^[1]

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1. University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen is expected to become metallic with a high superconducting transition temperature. The metallization may occur via band gap closure in the molecular solid or via a transition to the atomic solid. Recently, a few experimental studies pushed the achievable pressures into the 400–500 GPa range. There are strong indications that at some pressure in this range metallization via either of these mechanisms occurs, although there are disagreements between experimental reports. Furthermore, there are multiple good candidate crystal phases that have emerged from recent computational and experimental studies which may be realized in upcoming experiments. Therefore, it is crucial to determine the superconducting properties of these candidate phases. In a recent study, we reported the superconducting properties of the C2/c-24 phase, which we believe to be a strong candidate for metallization via band gap closure. Here, we report the superconducting properties of the Cmca-12, Cmca-4 and I4₁/amd-2 phases including the anharmonic effects using a Wannier function-based dense k-point and q-point sampling. Here we find that the Cmca-12 phase has a superconducting transition temperature that rises from 86 K at 400 GPa to 212 K at 500 GPa, whereas the Cmca-4 and I4₁/amd-2 phases show a less pressure-dependent behavior with their T_c in the 74–94 K and 307–343 K ranges, respectively. These properties can be used to distinguish between crystal phases in future experiments. Understanding superconductivity in pure hydrogen is also important in the study of high-T_c hydrides.

• Research Organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF)
• Grant/Contract Number: AC02-05CH11231
• OSTI ID: 1962339
• Journal Information: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 15 Vol. 34; ISSN 0953-8984
• Publisher: IOP PublishingCopyright Statement
• Country of Publication: United States
• Language: English