Effects of the electronic spin transitions of iron in lower mantle minerals: Implications for deep mantle geophysics and geochemistry
We have critically reviewed and discussed currently available information regarding the spin
and valence states of iron in lower mantle minerals and the associated effects of the spin …
and valence states of iron in lower mantle minerals and the associated effects of the spin …
First-principles modelling of Earth and planetary materials at high pressures and temperatures
Atomic-scale materials modelling based on first-principles quantum mechanics is playing an
important role in the science of the Earth and the other planets. We outline the basic theory …
important role in the science of the Earth and the other planets. We outline the basic theory …
Spin state of ferric iron in MgSiO3 perovskite and its effect on elastic properties
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 …
Fe3+ (Fe3+/ΣFe= 10–60%) due to crystal chemistry effects at high pressure (P) and that …
Effect of chemistry on the compressibility of silicate perovskite in the lower mantle
Three single-crystals of magnesium silicate perovskite with differing chemical compositions
have been studied by means of synchrotron X-ray diffraction in diamond anvil cells with He …
have been studied by means of synchrotron X-ray diffraction in diamond anvil cells with He …
Valence state and spin transitions of iron in Earth's mantle silicates
Using ab initio simulations, we investigated the valence and spin states of iron impurities in
the perovskite (Pv) and post-perovskite (PPv) polymorphs of MgSiO3. In agreement with the …
the perovskite (Pv) and post-perovskite (PPv) polymorphs of MgSiO3. In agreement with the …
Siderite at lower mantle conditions and the effects of the pressure‐induced spin‐pairing transition
Siderite (FeCO3) forms a complete solid solution with magnesite (MgCO3), the most likely
candidate for a mantle carbonate. Our experiments with natural siderite reveal spin pairing …
candidate for a mantle carbonate. Our experiments with natural siderite reveal spin pairing …
Effects of the Fe3+ spin transition on the properties of aluminous perovskite—New insights for lower-mantle seismic heterogeneities
We have measured the effects of the coupled substitution of Fe3+ and Al on the density and
compressibility of mantle silicate perovskite (Pv) up to 95GPa. X-ray emission spectroscopy …
compressibility of mantle silicate perovskite (Pv) up to 95GPa. X-ray emission spectroscopy …
Spin crossover of iron in aluminous MgSiO3 perovskite and post-perovskite
H Hsu, GY Yonggang, RM Wentzcovitch - Earth and Planetary Science …, 2012 - Elsevier
Using density functional theory+ Hubbard U (DFT+ U) calculations, we investigate how
aluminum affects the spin crossover of iron in MgSiO3 perovskite (Pv) and post-perovskite …
aluminum affects the spin crossover of iron in MgSiO3 perovskite (Pv) and post-perovskite …
Thermal conductivity of lower-mantle minerals
Geodynamic models of heat transport and the thermal evolution of Earth's interior require
knowledge of thermal conductivity for high-pressure phases at relevant temperatures and …
knowledge of thermal conductivity for high-pressure phases at relevant temperatures and …
Spin transitions in mantle minerals
J Badro - Annual Review of Earth and Planetary Sciences, 2014 - annualreviews.org
Mantle minerals at shallow depths contain iron in the high-spin electronic state. The crystal-
field splitting energy increases with increasing pressure, which can favor the low-spin state …
field splitting energy increases with increasing pressure, which can favor the low-spin state …