Refined phase diagram of the H-S system with high-Tc superconductivity
Ivan Kruglov, Ryosuke Akashi, Seiji Yoshikawa, Artem R. Oganov, M. Mahdi Davari Esfahani
DOI 10.1103/PhysRevB.96.220101 · Physical Review B
Active bibliographic source — not scientific approval
Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.
Abstract
Recently, hydrogen sulfide has attracted enormous attention due to the record high-temperature superconductivity of H3S with Tc=203 K at a pressure of 155 GPa. In addition to H3S, there are many theoretically and experimentally confirmed compositions and crystal structures forming under high pressure. Here, using the ab initio variable-composition evolutionary algorithm USPEX, we performed a comprehensive search for new phases in the H−S system and built a refined composition-pressure phase diagram. For H3S2, a new stable semiconducting P21 phase was found. We predicted a new sulfur-rich stable HS2 phase and metastable compound H5S8 and calculated their Tc using superconducting density functional theory (11 K at 100 GPa and 9.2 K at 80 GPa, respectively). Our results show that among stable phases only H3S is a high-Tc superconductor, and highlight that compositional descriptors alone are insufficient for indicating superconductivity, and crystal structure plays an essential role.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 203 | 155 GPa | unknown |
| H5S8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 11 | 100 GPa | unknown |
| HS2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9.3 | 80 GPa | unknown |
Similar papers
Emergence of near room-temperature superconductivity in hydrides with H2 molecular units
similarity 0.95Zhao Liu et al.
Source status unknown — claims are unverified
Design Principles for High-Temperature Superconductors with a Hydrogen-Based Alloy Backbone at Moderate Pressure
similarity 0.95Zihan Zhang et al.
Source status unknown — claims are unverified
High-temperature superconductivity in the Ca-Sc-H system
similarity 0.95D. A. Papaconstantopoulos et al.
Source status unknown — claims are unverified
Enhancement of superconducting transition temperature and exotic stoichiometries in the Lu−S system under high pressure
similarity 0.95Juefei Wu et al.
Source status unknown — claims are unverified
Compressed hydrides as metallic hydrogen superconductors
similarity 0.94Yundi Quan et al.
Source status unknown — claims are unverified
Electron-phonon coupling and exchange-correlation effects in superconducting H3S under high pressure
similarity 0.94Matej Komelj & Henry Krakauer
Source status unknown — claims are unverified