Ab initio calculations of the elastic properties of ferropericlase Mg1−xFexO ()

Ab initio calculations of the elastic properties of ferropericlase Mg1−xFexO ()

Ferropericlase Mg1-xFexO is believed to be the second most abundant mineral in the Earth's mantle. Therefore, the electronic and elastic properties of ferropericlase are important for the understanding of the Earth's interior. Ab initio total energy calculations have been performed for Fe...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Physics of the earth and planetary interiors 2007-10, Vol.164 (3-4), p.177-185
Hauptverfasser: Koči, L., Vitos, L., Ahuja, R.
Format: Artikel
Sprache:eng
Schlagworte:
augmented-wave method
earths lower mantle
elasticity
electronic-structure
ferropericlase
high-pressure
magnesiowustite (mg0.6fe0.4)o
megabar pressures
molecular-dynamics
phase-transformations
pressure
total-energy calculations
v-t equation
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Ferropericlase Mg1-xFexO is believed to be the second most abundant mineral in the Earth's mantle. Therefore, the electronic and elastic properties of ferropericlase are important for the understanding of the Earth's interior. Ab initio total energy calculations have been performed for Fe concentrations x
ISSN:0031-9201
1872-7395
DOI:10.1016/j.pepi.2007.06.012