Oxygen thermobarometry measurements on spinel peridotite rocks indicate that the oxygen
fugacity at the top of the upper mantle falls within±2 log units of the fayalite-magnetite-quartz …

The discovery of the postperovskite (PPv) transition has profound impact on our
understanding of the core-mantle boundary (CMB) region. Unlike perovskite (Pv), the PPv …

Using density functional theory plus Hubbard U calculations, we show that the ground state
of (Mg, Fe)(Si, Fe) O 3 perovskite, the major mineral phase in Earth's lower mantle, has high …

Mineral properties in Earth's lower mantle are affected by iron electronic states, but
representative pressures and temperatures have not yet been probed. Spin states of iron in …

The chemical potential of oxygen in natural and experimental samples is commonly reported
relative to a specific oxygen fugacity (fO2) buffer. These buffers are precisely known at 1 bar …

Xenon, which is quite inert under ambient conditions, may become reactive under pressure.
The possibility of the formation of stable xenon oxides and silicates in the interior of the Earth …

Recent studies have indicated that a significant amount of iron in MgSiO3 perovskite (Pv) is
Fe3+ (Fe3+/ΣFe= 10–60%) due to crystal chemistry effects at high pressure (P) and that …

The lower mantle is dominated by a magnesium-and iron-bearing mineral with the
perovskite structure. Iron has the ability to adopt different electronic configurations, and …

With the guidance of first-principles phonon calculations, we have searched and found
several metastable equilibrium sites for substitutional ferrous iron in MgSiO3 perovskite. In …

Iron-bearing silicate post-perovskite and perovskite are believed to be the dominant
minerals of the lowermost mantle and the lower mantle, respectively. The electronic spin …