Superconducting High Pressure Phases Composed of Hydrogen and Iodine

Andrew Shamp; Eva Zurek

doi:10.1021/acs.jpclett.5b01839

Superconducting High Pressure Phases Composed of Hydrogen and Iodine

Materials Science 2015-12-15 v1

Authors: Andrew Shamp , Eva Zurek

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Abstract

Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure. Insulating P1-H5I, consisting of zigzag chains of HI (delta+)and H2(delta-) molecules, is stable between 30-90 GPa. Cmcm-H2I and P6/mmm-H4I are found on the 100, 150 and 200 GPa convex hulls. These two phases are good metals, even at 1 atm, because they consist of monoatomic lattices of iodine. At 100 GPa the Tc of H2I and H4I are estimated to be 7.8 and 17.5 K, respectively. The increase in Tc relative to elemental iodine results from a larger omega-log from the light mass of hydrogen, and an enhanced lambda from modes containing H/I and H/H vibrations.

Keywords

superconductivity high pressure iodine polyhydrides evolutionary structure search transition temperature electron-phonon coupling hydrogen

Cite

@article{arxiv.1507.02616,
  title  = {Superconducting High Pressure Phases Composed of Hydrogen and Iodine},
  author = {Andrew Shamp and Eva Zurek},
  journal= {arXiv preprint arXiv:1507.02616},
  year   = {2015}
}

Comments

5 pages, 4 figures

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