Effects of the electronic spin transitions of iron in lower mantle minerals: Implications for deep mantle geophysics and geochemistry

JF Lin, S Speziale, Z Mao… - Reviews of …, 2013 - Wiley Online Library
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 …

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 …

Spin-State Crossover and Hyperfine Interactions of Ferric Iron in Perovskite

H Hsu, P Blaha, M Cococcioni, RM Wentzcovitch - Physical Review Letters, 2011 - APS
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 …

Spin state of ferric iron in MgSiO3 perovskite and its effect on elastic properties

K Catalli, SH Shim, VB Prakapenka, J Zhao… - Earth and Planetary …, 2010 - Elsevier
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 …

Thermal conductivity of Fe-bearing bridgmanite and post-perovskite: Implications for the heat flux from the core

D Wang, Z Wu, X Deng - Earth and Planetary Science Letters, 2023 - Elsevier
The thermal conductivity of the lowermost mantle controls the energy transfer from the core
to the mantle, and provides insight into the thermal history, evolution, and magnetic field of …

Reduced lattice thermal conductivity of Fe‐bearing bridgmanite in Earth's deep mantle

WP Hsieh, F Deschamps, T Okuchi… - Journal of Geophysical …, 2017 - Wiley Online Library
Complex seismic, thermal, and chemical features have been reported in Earth's lowermost
mantle. In particular, possible iron enrichments in the large low shear‐wave velocity …

Thermoelasticity of Fe2+‐bearing bridgmanite

G Shukla, Z Wu, H Hsu, A Floris… - Geophysical …, 2015 - Wiley Online Library
We present local density approximation augmented by the Hubbard‐type correction
calculations of high‐temperature elastic properties of bridgmanite with composition for …

Effects of the Fe3+ spin transition on the properties of aluminous perovskite—New insights for lower-mantle seismic heterogeneities

K Catalli, SH Shim, P Dera, VB Prakapenka… - Earth and Planetary …, 2011 - Elsevier
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 …

Ferromagnetic insulating state in tensile-strained LaCoO thin films from LDA calculations

H Hsu, P Blaha, RM Wentzcovitch - Physical Review B—Condensed Matter …, 2012 - APS
With local density approximation+ Hubbard U (LDA+ U) calculations, we show that the
ferromagnetic (FM) insulating state observed in tensile-strained LaCoO 3 epitaxial thin films …

High‐Pressure Geophysical Properties of Fcc Phase FeHX

EC Thompson, AH Davis, W Bi, J Zhao… - Geochemistry …, 2018 - Wiley Online Library
Face centered cubic (fcc) FeHX was synthesized at pressures of 18–68 GPa and
temperatures exceeding 1,500 K. Thermally quenched samples were evaluated using …