Superconducting high-pressure phases composed of hydrogen and iodine [electronic resource]
Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure. Insulating P<sub>1</sub>-H<sub>5</sub>I, consisting of zigzag chains of (HI) <sup>δ+</sup> and H<sub> 2</sub> molecules, is stable between 30-90 GPa....
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Online Access (via OSTI) |
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| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. National Nuclear Security Administration ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2015.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Superconducting high-pressure phases composed of hydrogen and iodine |h [electronic resource] |
| 260 | |a Washington, D.C. : |b United States. National Nuclear Security Administration ; |a Oak Ridge, Tenn. : |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, |c 2015. | ||
| 300 | |a p. 4067-4072 : |b digital, PDF file. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
| 337 | |a computer |b c |2 rdamedia. | ||
| 338 | |a online resource |b cr |2 rdacarrier. | ||
| 500 | |a Published through SciTech Connect. | ||
| 500 | |a 09/25/2015. | ||
| 500 | |a Journal of Physical Chemistry Letters 6 20 ISSN 1948-7185 AM. | ||
| 500 | |a Andrew Shamp; Eva Zurek. | ||
| 500 | |a Carnegie Inst. of Washington, Argonne, IL (United States) | ||
| 520 | 3 | |a Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure. Insulating P<sub>1</sub>-H<sub>5</sub>I, consisting of zigzag chains of (HI) <sup>δ+</sup> and H<sub> 2</sub> molecules, is stable between 30-90 GPa. Cmcm-H<sub>2</sub>I and P6/mmm-H<sub>4</sub>I 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 superconducting transition temperature, T<sub>c</sub>, of H<sub>2</sub>I and H<sub>4</sub>I are estimated to be 7.8 and 17.5 K, respectively. Lastly, the increase in T<sub>c</sub> relative to elemental iodine results from a larger ω<sub>log</sub> from the light mass of hydrogen, and an enhanced from modes containing H/I and H/H vibrations. | |
| 520 | 0 | |a First-Principles; Novel Materials; Structure Prediction; Superconductivity. | |
| 536 | |b NA0002006. | ||
| 650 | 7 | |a Condensed Matter Physics, Superconductivity And Superfluidity. |2 edbsc. | |
| 710 | 1 | |a United States. |b National Nuclear Security Administration. |4 spn. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Scientific and Technical Information. |4 dst. | |
| 856 | 4 | 0 | |u http://www.osti.gov/scitech/biblio/1335643 |z Online Access (via OSTI) |
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| 952 | f | f | |p Can circulate |a University of Colorado Boulder |b Online |c Online |d Online |e E 1.99:1335643 |h Superintendent of Documents classification |i web |n 1 |