First-principles demonstration of superconductivity at 280 K in hydrogen sulfide with low phosphorus substitution
Yanfeng Ge, Fan Zhang, Yugui Yao
DOI 10.1103/PhysRevB.93.224513 · Physical Review B
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Abstract
Recently, BCS superconductivity at 203 K has been observed in a highly compressed hydrogen sulfide. We use first-principles calculations to systematically examine the effects of partially substituting chalcogen atoms on the superconductivity of hydrogen chalcogenides under high pressures. We find detailed trends of how the critical temperature changes upon increasing the V-, VI- or VII-substitution rate. These trends highlight the key roles played by low atomic mass and metallized covalent bonds. In particular, a possible record high critical temperature of 280 K is predicted in stable H3S0.925P0.075 with the Im3¯m structure under 250 GPa.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| H3S0.925P0.075 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 280 | 250 GPa | unknown |
| H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 203 | Pressure not reported | unknown |
| H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 194 | 200 GPa | unknown |
| H3Se Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 160 | 200 GPa | unknown |
| H3S0.9O0.1 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 198 | 200 GPa | unknown |
| H3S0.7Te0.3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 161 | 200 GPa | unknown |
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