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Related papers: Iron Partitioning between Ferropericlase and Bridg…

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Iron partitioning among the main lower mantle phases, bridgmanite (Bm) and ferropericlase (Fp), has non-monotonic behavior owing to the high-spin to low-spin crossover in ferrous iron (Fe2+) in Fp. Results of previous studies of the iron…

Materials Science · Physics 2024-05-21 Jingyi Zhuang , Renata Wentzcovitch

The Earth's lower mantle hosts a subtle but pervasive quantum phenomenon: the pressure-induced spin crossover of iron in its dominant minerals, bridgmanite and ferropericlase. In this transition, iron ions gradually shift from high-spin to…

Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute $\sim 95$ vol\% of the Earth's lower mantle: ferropericlase [(Mg,Fe)O] and Fe-bearing…

Strongly Correlated Electrons · Physics 2015-06-23 Han Hsu , Renata M. Wentzcovitch

Iron disproportionation reactions in mantle silicates can produce metallic iron that drives Earth's deep mantle toward metal saturation under reduced conditions. Subducting slabs transport hydrated silicates to these depths, where…

Geophysics · Physics 2026-05-13 Junjie Dong , Lars P Stixrude , Paul D Asimow , Jie Li

Ferropericlase (fp), (Mg$_{1-x}$Fe$_x$)O, the second most abundant mineral in the Earth's lower mantle, is expected to be an essential component of super-Earths' mantles. Here we present an ab initio investigation of the structure and…

Geophysics · Physics 2022-05-04 Tianqi Wan , Yang Sun , Renata M. Wentzcovitch

Ferropericlase, (Mg,Fe)O is one of the most abundant minerals of the Earth's lower mantle. The high-spin (HS) to low-spin (LS) transition in the Fe2+ ions can dramatically alter the physical and chemical properties of (Mg,Fe)O in the deep…

Iron spin transition directly affects properties of lower mantle minerals and can thus alter geophysical and geochemical characteristics of the deep Earth. While the spin transition in ferropericlase has been vigorously established at P ~…

The primary phase of the Earth's lower mantle, (Al, Fe)-bearing bridgmanite, transitions to the postperovskite (PPv) phase at Earth's deep mantle conditions. Despite extensive experimental and ab initio investigations, there are still…

Ferropericlase (Fp), (Mg$_\mathrm{1-x}$Fe$_\mathrm{x}$)O, is the second most abundant phase in the Earths lower mantle. At relevant pressure-temperature conditions, iron in Fp undergoes a high spin (HS), S=2, to low spin (LS), S=0, state…

Geophysics · Physics 2020-10-28 Michel L. Marcondes , Fawei Zheng , Renata M. Wentzcovitch

The spin crossover of iron in Fe$^{3+}$-bearing bridgmanite, the most abundant mineral of the Earth's lower mantle, is by now a well-established phenomenon, though several aspects of this crossover remain unclear. Here we investigate…

Materials Science · Physics 2016-10-12 Gaurav Shukla , Renata M. Wentzcovitch

The iron spin crossover in ferropericlase introduces anomalies in its thermodynamics and thermoelastic properties. Here we investigate how these anomalies can affect the lower mantle geotherm. The effect is examined in mantle aggregates…

Joint interpretation of bulk and shear wave speeds constrains the chemistry of the deep mantle. At all depths, the diversity of wave speeds cannot be explained by an isochemical mantle. Between 1000 and 2500 km depth, hypothetical mantle…

The composition of the lower mantle $-$ comprising 56% of Earth's volume $-$ remains poorly constrained. Among the major elements, Mg/Si ratios ranging from $\sim$0.9$-$1.1, such as in rocky solar-system building blocks (or chondrites), to…

Earth and Planetary Astrophysics · Physics 2018-03-22 Maxim D. Ballmer , Christine Houser , John W. Hernlund , Renata M. Wentzcovitch , Kei Hirose

Here, we provide a reappraisal of potential LLSVPs compositions based on an improved mineralogical model including, for instance, the effects of alumina. We also systematically investigate the effects of six parameters: FeO and…

Iron-bearing oxides undergo a series of pressure-induced electronic, spin and structural transitions that can cause seismic anomalies and dynamic instabilities in Earth's mantle and outer core. We employ x-ray diffraction and x-ray emission…

Strongly Correlated Electrons · Physics 2023-07-10 E. Greenberg , R. Nazarov , A. Landa , J. Ying , R. Q. Hood , B. Hen , R. Jeanloz , V. B. Prakapenka , V. V. Struzhkin , G. Kh. Rozenberg , I. Leonov

Ferropericlase, (Mg,Fe)O, is the second-most abundant mineral of the Earth's lower mantle. With increasing pressure, the Fe ions in the material begin to collapse from a magnetic to non-magnetic spin state. We present a finite-temperature…

Materials Science · Physics 2015-06-23 Eero Holmstrom , Lars Stixrude

Fe and Al are two of the most important rock-forming elements other than Mg, Si, and O. Their presence in the lower mantle's most abundant minerals, MgSiO_3 bridgmanite, MgSiO_3 post-perovskite and MgO periclase, alters their elastic…

Geophysics · Physics 2015-12-22 Shuai Zhang , Sanne Cottaar , Tao Liu , Stephen Stackhouse , Burkhard Militzer

We report \textit{ab initio} (LDA + U$_{sc}$) calculations of thermoelastic properties of ferric iron (Fe$^{3+}$)- and aluminum (Al)-bearing bridgmanite (MgSiO$_3$ perovskite), the main Earth forming phase, at relevant pressure and…

Materials Science · Physics 2016-03-30 Gaurav Shukla , Matteo Cococcioni , Renata M. Wentzcovitch

We present LDA+U calculations of high temperature elastic properties of bridgmanite with composition (Mg$_{(1-x)}$Fe$_{x}^{2+}$)SiO$_3$ for $0\le{x}\le0.125$. Results of elastic moduli and acoustic velocities for the Mg-end member (x=0)…

Materials Science · Physics 2015-06-24 Gaurav Shukla , Zhongqing Wu , Han Hsu , Andrea Floris , Matteo Cococcioni , Renata M. Wentzcovitch
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