Superconducting high-pressure phase of cesium iodide
Ying Xu, John S. Tse, Artem R. Oganov, Tian Cui, Hui Wang, Yanming Ma, Guangtian Zou
DOI 10.1103/PhysRevB.79.144110 · Physical Review B
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Abstract
The evolutionary methodology for crystal structure prediction is employed to resolve a long-held puzzle in the high-pressure crystallography of cesium iodide. Above 42 GPa, an orthorhombic Pnma structure with a hexagonal-closed-packed (hcp) stacking which resembles hcp Xe is uncovered to be stable and successfully explains the observed diffraction patterns. At strong compression (>100 GPa), this structure becomes metallic via band-gap closure, and superconducting originated from the peculiar reverse electron donation from I− to Cs+.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| CsI Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.3 | 216 GPa | unknown |
| CsI Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.03 | 180 GPa | unknown |
| CsI Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.025 | 216 GPa | unknown |
| Xe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.04 | 215 GPa | unknown |
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