Electron-phonon interaction and superconductivity in metallic molecular hydrogen. I. Electronic and dynamical properties under pressure
P. Cudazzo, G. Profeta, A. Sanna, A. Floris, A. Continenza, S. Massidda, E. K. U. Gross
DOI 10.1103/PhysRevB.81.134505 · Physical Review B
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Abstract
The structural, electronic, and dynamical properties of molecular hydrogen under pressure are investigated by first-principles calculations. A detailed study of the Cmca phase, believed to be the stable phase at very high pressure, reveals the mechanisms of metallization and their impacts on the electronic and dynamical properties which are at the basis of the predicted onset of high-temperature superconductivity in molecular H2. Pressure is shown to greatly affect the electronic and dynamical properties of this system acting on different and connected aspects, namely, Fermi surfaces, phonon softenings, charge transfer, all of them concurring as propitious features to the onset of high-temperature superconductivity.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| H2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 242 | 450 GPa | unknown |
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure not reported | unknown |
| Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 15 | Pressure not reported | unknown |
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