Superconductivity in the van der Waals layered compound PS2
Yan-Ling Li, Elissaios Stavrou, Qiang Zhu, Samantha M. Clarke, Yunguo Li, Hong-Mei Huang
DOI 10.1103/PhysRevB.99.220503 · Physical Review B
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Abstract
van der Waals (vdW) layered compounds provided a fruitful research platform for the realization of superconductivity. However, a vdW layered superconductor with a high transition temperature (Tc) at ambient conditions is still rare. Here, using variable-composition evolutionary structure predictions, we systematically explored the stable compounds in the P-S system up to 20 GPa. Opposed to the complex stoichiometries at ambient conditions, only one compound, PS2, is predicted to be thermodynamically stable above 8 GPa. Strikingly, PS2 is a vdW layered material isostructural to 3R−MoS2 exhibiting a predicted Tc of around 11 K at ambient pressure, both in the bulk and the monolayer form. PS2 has been successfully synthesized via high-pressure experiments following the theoretical predictions. This enables replacing transition metals with group V elements in transition-metal dichalcogenides and paves the way in the search for vdW layered materials with superior properties.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| PS2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 11 | Pressure unresolved | unknown |
| PS2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 11.3 | Pressure unresolved | unknown |
| MoS2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 12 | 120 GPa | unknown |
| MoS2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 10 | Pressure not reported | unknown |
| MoTe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.1 | Pressure unresolved | unknown |
| MoTe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.2 | 11.7 GPa | unknown |
| NbSe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 7.2 | Pressure unresolved | unknown |
| SnSe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3.9 | Pressure not reported | unknown |
| SnSe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.1 | 30.1 GPa | unknown |
| CaC6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 11.5 | Pressure unresolved | unknown |
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