Abstract
Possible induced electronic and structural phase transitions in solid hydrogen are studied using a unified theoretical approachthe local-density total-energy full-potential linearized-augmented-plane-wave methodwhich has the precision to treat the highly anisotropic Pa3 molecular phase on the same footing as the monatomic close-packed phases. The pressure-induced metallization by band overlap and bond length relaxation within the Pa3 structure of molecular solid hydrogen is described and discussed; the calculations predict an insulator-to-metal phase transition at 1.70.2 Mbar. At a much higher pressure of 41 Mbar, a structural phase transition takes place to a monatomic metallic hcp phase with a high superconducting transition temperature.
Original language | English |
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Pages (from-to) | 6383-6390 |
Number of pages | 8 |
Journal | Physical Review B |
Volume | 33 |
Issue number | 9 |
DOIs | |
Publication status | Published - 1986 |
ASJC Scopus subject areas
- Condensed Matter Physics