Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure
| Autor: | Naoshi Suzuki, Katsuya Shimizu, Akitaka Nakanishi, Tatsuki Oda, Hiroshi Katayama-Yoshida, Takahiro Ishikawa |
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| Rok vydání: | 2015 |
| Předmět: |
Superconductivity
Multidisciplinary Materials science Hydrogen bond Hydrogen sulfide chemistry.chemical_element Thermodynamics 02 engineering and technology Crystal structure 021001 nanoscience & nanotechnology 01 natural sciences Sulfur Article chemistry.chemical_compound chemistry Phase (matter) 0103 physical sciences Harmonic Molecule 010306 general physics 0210 nano-technology |
| Zdroj: | Scientific Reports |
| ISSN: | 2045-2322 |
| Popis: | Recently, hydrogen sulfide was experimentally found to show the high superconducting critical temperature (Tc) under high-pressure. The superconducting Tc shows 30–70 K in pressure range of 100–170 GPa (low-Tc phase) and increases to 203 K, which sets a record for the highest Tc in all materials, for the samples annealed by heating it to room temperature at pressures above 150 GPa (high-Tc phase). Here we present a solid H5S2 phase predicted as the low-Tc phase by the application of the genetic algorithm technique for crystal structure searching and first-principles calculations to sulfur-hydrogen system under high-pressure. The H5S2 phase is thermodynamically stabilized at 110 GPa, in which asymmetric hydrogen bonds are formed between H2S and H3S molecules. Calculated Tc values show 50–70 K in pressure range of 100–150 GPa within the harmonic approximation, which can reproduce the experimentally observed low-Tc phase. These findings give a new aspect of the excellent superconductivity in compressed sulfur-hydrogen system. |
| Databáze: | OpenAIRE |
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