Prediction of High Temperature Superconductivity in C2/c-24 Solid Hydrogen

Abstract

Recent experimental developments in hydrogen-rich materials in high pressures have put this class of materials above others in the race toward room temperature superconductivity. As it is the basis of all the materials in this class, the efforts to determine the properties of pure solid hydrogen at high pressures remain intense. Most notably, a recent experimental study of the metallization of hydrogen identified the crystal phase of the solid as the C2/c-24 molecular phase up to ~425 GPa. It is possible that the observed metallization is caused by band structure effects and not a structural phase transition, and the material remains in this crystal phase up to higher pressures. Therefore it is of crucial importance to determine the superconducting properties of the C2/c-24 phase. Here, we employ a Wannier function-based dense k-point and q-point sampling to compute the electron-phonon coupling and superconducting properties of molecular hydrogen in the C2/c-24 phase. We find that the material has a high superconducting transition temperature of 242 K at 500 GPa. We also find that the transition temperature rapidly increases with pressure in the 400 - 500 GPa range.

References in corpus (9)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Observation of the Wigner-Huntington Transition to Solid Metallic Hydrogen
• Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure
• Density functional theory study of phase IV of solid hydrogen
• Anomalous behavior in high-pressure carbonaceous sulfur hydride
• Hexagonal structure of phase III of solid hydrogen
• Nature of the Metallization Transition in Solid Hydrogen
• Comments on the claimed observation of the Wigner-Huntington Transition to Metallic Hydrogen
• Comment on: Observation of a first order phase transition to metal hydrogen near 425 GPa

Cited by in corpus (2)

• High Temperature Superconductivity in the Candidate Phases of Solid Hydrogen
• Anisotropy and Isotope Effect in Superconducting Solid Hydrogen