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Issue 48, 2015
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Enhancement of Tc in the atomic phase of iodine-doped hydrogen at high pressures

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Abstract

The high-pressure structures and superconductivity of iodine-doped hydrogen have been studied by ab initio calculations. Above 100 GPa, we discover a stable phase with Pnma symmetry in the H2I stoichiometry that consists of a monatomic iodine tube trapping hydrogen molecular units. Interestingly, H2 molecular units dissociate and form a novel atomic phase with R[3 with combining macron]m symmetry at 246 GPa. Further electron–phonon coupling calculations predict the critical temperature of superconductivity Tc to be 3.8 K for the Pnma phase and 33 K for the R[3 with combining macron]m phase at 240 GPa. Significantly, the Tc of the R[3 with combining macron]m phase is enhanced approximately 8 times that of the Pnma phase, which is mainly attributed to the reason that H2 molecules are broken exhibiting an atomic character in the R[3 with combining macron]m phase.

Graphical abstract: Enhancement of Tc in the atomic phase of iodine-doped hydrogen at high pressures

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Publication details

The article was received on 01 Sep 2015, accepted on 06 Nov 2015 and first published on 11 Nov 2015


Article type: Paper
DOI: 10.1039/C5CP05218A
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2015,17, 32335-32340
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    Enhancement of Tc in the atomic phase of iodine-doped hydrogen at high pressures

    D. Duan, F. Tian, Y. Liu, X. Huang, D. Li, H. Yu, Y. Ma, B. Liu and T. Cui, Phys. Chem. Chem. Phys., 2015, 17, 32335
    DOI: 10.1039/C5CP05218A

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