Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Electronic spin state of iron in lower mantle perovskite.

ABSTRACT: The electronic spin state of iron in lower mantle perovskite is one of the fundamental parameters that governs the physics and chemistry of the most voluminous and massive shell in the Earth. We present experimental evidence for spin-pairing transition in aluminum-bearing silicate perovskite (Mg,Fe)(Si,Al)O(3) under the lower mantle pressures. Our results demonstrate that as pressure increases, iron in perovskite transforms gradually from the initial high-spin state toward the final low-spin state. At 100 GPa, both aluminum-free and aluminum-bearing samples exhibit a mixed spin state. The residual magnetic moment in the aluminum-bearing perovskite is significantly higher than that in its aluminum-free counterpart. The observed spin evolution with pressure can be explained by the presence of multiple iron species and the occurrence of partial spin-paring transitions in the perovskite. Pressure-induced spin-pairing transitions in the perovskite would have important bearing on the magnetic, thermoelastic, and transport properties of the lower mantle, and on the distribution of iron in the Earth's interior.

SUBMITTER: Li J

PROVIDER: S-EPMC521114 | biostudies-other | 2004 Sep

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Similar Datasets

Valence and spin states of iron are invisible in Earth's lower mantle.

Project description:Heterogeneity in Earth's mantle is a record of chemical and dynamic processes over Earth's history. The geophysical signatures of heterogeneity can only be interpreted with quantitative constraints on effects of major elements such as iron on physical properties including density, compressibility, and electrical conductivity. However, deconvolution of the effects of multiple valence and spin states of iron in bridgmanite (Bdg), the most abundant mineral in the lower mantle, has been challenging. Here we show through a study of a ferric-iron-only (Mg0.46Fe3+0.53)(Si0.49Fe3+0.51)O3 Bdg that Fe3+ in the octahedral site undergoes a spin transition between 43 and 53?GPa at 300?K. The resolved effects of the spin transition on density, bulk sound velocity, and electrical conductivity are smaller than previous estimations, consistent with the smooth depth profiles from geophysical observations. For likely mantle compositions, the valence state of iron has minor effects on density and sound velocities relative to major cation composition.

| S-EPMC5876394 | biostudies-literature

Seismological expression of the iron spin crossover in ferropericlase in the Earth's lower mantle.

Project description:The two most abundant minerals in the Earth's lower mantle are bridgmanite and ferropericlase. The bulk modulus of ferropericlase (Fp) softens as iron d-electrons transition from a high-spin to low-spin state, affecting the seismic compressional velocity but not the shear velocity. Here, we identify a seismological expression of the iron spin crossover in fast regions associated with cold Fp-rich subducted oceanic lithosphere: the relative abundance of fast velocities in P- and S-wave tomography models diverges in the ~1,400-2,000 km depth range. This is consistent with a reduced temperature sensitivity of P-waves throughout the iron spin crossover. A similar signal is also found in seismically slow regions below ~1,800 km, consistent with broadening and deepening of the crossover at higher temperatures. The corresponding inflection in P-wave velocity is not yet observed in 1-D seismic profiles, suggesting that the lower mantle is composed of non-uniformly distributed thermochemical heterogeneities which dampen the global signature of the Fp spin crossover.

| S-EPMC8501025 | biostudies-literature

Iron spin transition in Earth's mantle.

Project description:High-pressure Mössbauer spectroscopy on several compositions across the (Mg,Fe)O magnesiowüstite solid solution confirms that ferrous iron (Fe(2+)) undergoes a high-spin to low-spin transition at pressures and for compositions relevant to the bulk of the Earth's mantle. High-resolution x-ray diffraction measurements document a volume change of 4-5% across the pressure-induced spin transition, which is thus expected to cause seismological anomalies in the lower mantle. The spin transition can lead to dissociation of Fe-bearing phases such as magnesiowüstite, and it reveals an unexpected richness in mineral properties and phase equilibria for the Earth's deep interior.

| S-EPMC1312404 | biostudies-literature

Quantum critical point and spin fluctuations in lower-mantle ferropericlase.

Project description: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 Fe(2+) ions may dramatically alter the physical and chemical properties of (Mg,Fe)O in the deep mantle. To understand the effects of compression on the ground electronic state of iron, electronic and magnetic states of Fe(2+) in (Mg0.75Fe0.25)O have been investigated using transmission and synchrotron Mössbauer spectroscopy at high pressures and low temperatures (down to 5 K). Our results show that the ground electronic state of Fe(2+) at the critical pressure Pc of the spin transition close to T = 0 is governed by a quantum critical point (T = 0, P = P(c)) at which the energy required for the fluctuation between HS and LS states is zero. Analysis of the data gives P(c) = 55 GPa. Thermal excitation within the HS or LS states (T > 0 K) is expected to strongly influence the magnetic as well as physical properties of ferropericlase. Multielectron theoretical calculations show that the existence of the quantum critical point at temperatures approaching zero affects not only physical properties of ferropericlase at low temperatures but also its properties at P-T of the earth's lower mantle.

| S-EPMC3645530 | biostudies-literature

Spin crossover in ferropericlase and velocity heterogeneities in the lower mantle.

Project description:Deciphering the origin of seismic velocity heterogeneities in the mantle is crucial to understanding internal structures and processes at work in the Earth. The spin crossover in iron in ferropericlase (Fp), the second most abundant phase in the lower mantle, introduces unfamiliar effects on seismic velocities. First-principles calculations indicate that anticorrelation between shear velocity (VS) and bulk sound velocity (Vφ) in the mantle, usually interpreted as compositional heterogeneity, can also be produced in homogeneous aggregates containing Fp. The spin crossover also suppresses thermally induced heterogeneity in longitudinal velocity (VP) at certain depths but not in VS. This effect is observed in tomography models at conditions where the spin crossover in Fp is expected in the lower mantle. In addition, the one-of-a-kind signature of this spin crossover in the RS/P (∂ ln VS/∂ ln VP) heterogeneity ratio might be a useful fingerprint to detect the presence of Fp in the lower mantle.

| S-EPMC4115492 | biostudies-literature

Elasticity of Ferropericlase across the Spin Crossover in the Earth's Lower Mantle.

Project description:Knowing the elasticity of ferropericlase across the spin transition can help explain seismic and mineralogical models of the lower-mantle including the origin of seismic heterogeneities in the middle to lowermost parts of the lower mantle. However, the effects of spin transition on full elastic constants of ferropericlase remain experimentally controversial due to technical challenges in directly measuring sound velocities under lower-mantle conditions. Here we have reliably measured both VP and VS of a single-crystal ferropericlase ((Mg0.92,Fe0.08)O) using complementary Brillouin Light Scattering and Impulsive Stimulated Light Scattering coupled with a diamond anvil cell up to 96 GPa. The derived elastic constants show drastically softened C11 and C12 within the spin transition at 40-60 GPa while C44 is not affected. The spin transition is associated with a significant reduction of the aggregate VP/VS via the aggregate VP softening because VS softening does not visibly occur within the transition. Based on thermoelastic modelling along an expected geotherm, the spin crossover in ferropericlase can contribute to 2% reduction in VP/VS in a pyrolite mineralogical model in mid lower-mantle. Our results imply that the middle to lowermost parts of the lower-mantle would exhibit enhanced seismic heterogeneities due to the occurrence of the mixed-spin and low-spin ferropericlase.

| S-EPMC4664863 | biostudies-literature

Epsilon iron as a spin-smectic state.

Project description:Using X-ray emission spectroscopy, we find appreciable local magnetic moments until 30 GPa to 40 GPa in the high-pressure phase of iron; however, no magnetic order is detected with neutron powder diffraction down to 1.8 K, contrary to previous predictions. Our first-principles calculations reveal a "spin-smectic" state lower in energy than previous results. This state forms antiferromagnetic bilayers separated by null spin bilayers, which allows a complete relaxation of the inherent frustration of antiferromagnetism on a hexagonal close-packed lattice. The magnetic bilayers are likely orientationally disordered, owing to the soft interlayer excitations and the near-degeneracy with other smectic phases. This possible lack of long-range correlation agrees with the null results from neutron powder diffraction. An orientationally disordered, spin-smectic state resolves previously perceived contradictions in high-pressure iron and could be integral to explaining its puzzling superconductivity.

| S-EPMC6789622 | biostudies-literature

Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.

Project description:A mononuclear iron(II) complex that displays a gradual two-step spin-crossover (SCO) transition is reported. The intermediate plateau (IP) occurs between HS0.40LS0.60 and HS0.30LS0.70 (HS = high spin; LS = low spin) ratios over the region of ca. 190-170 K. A phase change occurs at the IP, breaking the symmetry, resulting in six independent SCO sites compared to one at the 100% HS and LS plateau regions, respectively. Variable-temperature X-ray photoelectron spectroscopy shows that the SCO behavior is completely reversible among the HS, IP, and LS regions. The results both confirm and extend the related results for the above system described by Halcrow et al. (Kulmaczewski R.; Cespedes O.; Halcrow M. A.Gradual Thermal Spin-Crossover Mediated By a Reentrant Z' = 1 → Z' = 6 → Z' = 1 Phase Transition, Inorg. Chem. 2017, 56, 3144-3148) in a recent report.

| S-EPMC6641455 | biostudies-literature

Xenon iron oxides predicted as potential Xe hosts in Earth's lower mantle.

Project description:An enduring geological mystery concerns the missing xenon problem, referring to the abnormally low concentration of xenon compared to other noble gases in Earth's atmosphere. Identifying mantle minerals that can capture and stabilize xenon has been a great challenge in materials physics and xenon chemistry. Here, using an advanced crystal structure search algorithm in conjunction with first-principles calculations we find reactions of xenon with recently discovered iron peroxide FeO2, forming robust xenon-iron oxides Xe2FeO2 and XeFe3O6 with significant Xe-O bonding in a wide range of pressure-temperature conditions corresponding to vast regions in Earth's lower mantle. Calculated mass density and sound velocities validate Xe-Fe oxides as viable lower-mantle constituents. Meanwhile, Fe oxides do not react with Kr, Ar and Ne. It means that if Xe exists in the lower mantle at the same pressures as FeO2, xenon-iron oxides are predicted as potential Xe hosts in Earth's lower mantle and could provide the repository for the atmosphere's missing Xe. These findings establish robust materials basis, formation mechanism, and geological viability of these Xe-Fe oxides, which advance fundamental knowledge for understanding xenon chemistry and physics mechanisms for the possible deep-Earth Xe reservoir.

| S-EPMC7568531 | biostudies-literature

Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions.

Project description:Knowledge of the melting properties of materials, especially at extreme pressure conditions, represents a long-standing scientific challenge. For instance, there is currently considerable uncertainty over the melting temperatures of the high-pressure mantle mineral, bridgmanite (MgSiO3-perovskite), with current estimates of the melting T at the base of the mantle ranging from 4800?K to 8000?K. The difficulty with experimentally measuring high pressure melting temperatures has motivated the use of ab initio methods, however, melting is a complex multi-scale phenomenon and the timescale for melting can be prohibitively long. Here we show that a combination of empirical and ab-initio molecular dynamics calculations can be used to successfully predict the melting point of multicomponent systems, such as MgSiO3 perovskite. We predict the correct low-pressure melting T, and at high-pressure we show that the melting temperature is only 5000?K at 120?GPa, a value lower than nearly all previous estimates. In addition, we believe that this strategy is of general applicability and therefore suitable for any system under physical conditions where simpler models fail.

| S-EPMC4956746 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data