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 |
|---|---|
| Pages (from-to) | 6383-6390 |
| Number of pages | 8 |
| Journal | Physical Review B |
| Volume | 33 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 1986 |
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ASJC Scopus subject areas
- Condensed Matter Physics
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Pressure-induced electronic and structural phase transitions in solid hydrogen. / Min, B. I.; Jansen, H. J F; Freeman, Arthur J.
In: Physical Review B, Vol. 33, No. 9, 1986, p. 6383-6390.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Pressure-induced electronic and structural phase transitions in solid hydrogen
AU - Min, B. I.
AU - Jansen, H. J F
AU - Freeman, Arthur J
PY - 1986
Y1 - 1986
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.33.6383
DO - 10.1103/PhysRevB.33.6383
M3 - Article
VL - 33
SP - 6383
EP - 6390
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 9
ER -