Stability and metallization of solid oxygen under high pressure

The phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the \(P6_3/mmc\) symmetry (\(\eta^{'}\) phase) is determined to be thermodynamically stable in this pressure range at elevat...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	arXiv.org 2019-02
Hauptverfasser:	Elatresh, S F, Bonev, S A
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity First principles High temperature Metallizing Molecular structure Oxygen Phase diagrams Stability Transition pressure
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!