Structural properties, superconductivity, and magnetism of metallic hydrogen
- 1 November 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 30 (9) , 5076-5083
- https://doi.org/10.1103/physrevb.30.5076
Abstract
The electronic band structure and structural properties of paramagnetic metallic hydrogen in the simple cubic (sc), fcc, bcc, and hcp phases have been determined theoretically using our bulk fullpotential total-energy linearized augmented-plane-wave method. In the density range corresponding to we find a phase transition from sc to hcp at high pressure which indicates the importance of the hcp structure in phase transformations of molecular hydrogen under pressure. Superconducting transition temperatures up to 250 K are predicted within the framework of the rigid-ion approximation. An analysis of the Stoner factor shows the expected magnetic instability in the low-density region.
Keywords
This publication has 27 references indexed in Scilit:
- Phase transitions in a mercury monolayerPhysical Review B, 1983
- Total-energy all-electron density functional method for bulk solids and surfacesPhysical Review B, 1982
- Theory of dense hydrogenPhysical Review B, 1981
- Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:moleculePhysical Review B, 1981
- Density-functional theory of the metal-insulator transitionPhysical Review B, 1980
- Exact-Exchange Crystal Hartree-Fock Calculations of Molecular and Metallic Hydrogen and Their TransitionsPhysical Review Letters, 1975
- Ground-state energies of simple metalsPhysical Review B, 1974
- Thermodynamic properties of compressed solid hydrogenJournal of Computational Physics, 1971
- Metallic Hydrogen: A High-Temperature Superconductor?Physical Review Letters, 1968
- On the Possibility of a Metallic Modification of HydrogenThe Journal of Chemical Physics, 1935