Superconducting high-pressure phase of platinum hydride from first principles
Xiang-Feng Zhou (周向锋), Artem R. Oganov, Xiao Dong (董校), Lixin Zhang (张立新), Yongjun Tian (田永君), Hui-Tian Wang (王慧田)
DOI 10.1103/PhysRevB.84.054543 · Physical Review B
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Abstract
Recently, a superconducting transition was found in silane in high-pressure experiments. However, the experimental x-ray diffraction (XRD) patterns do not match any one of the proposed silane structures, and it has been suggested to be originated from a platinum hydride. Here the underlying physics behind the anomalous superconducting transition in experiment is revealed by first-principles calculations. We predict a stable hexagonal P63/mmc phase of platinum hydride at high pressure. Its lattice constants and simulated XRD pattern are in excellent agreement with the experimental results. The superconducting transition temperatures in this phase are found to agree with the measured values, too. This discovery provides insights into the unusual superconducting behavior reported for silane.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| PtH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 17.2 | 113 GPa | unknown |
| PtH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 15.1 | 130 GPa | unknown |
| PtH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9.7 | 160 GPa | unknown |
| PtH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 7.1 | 192 GPa | unknown |
| Pt2H Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1 | 113 GPa | unknown |
| SiH4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 17.5 | 96 GPa | unknown |
| SiH4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 17 | 120 GPa | unknown |
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