Magnetism in FeO at Megabar Pressures from X-Ray Emission Spectroscopy

Badro, James; Struzhkin, Viktor V.; Shu, Jinfu; Hemley, Russell J.; Mao, Ho‐kwang; Kao, C.‐C.; Rueff, Jean‐Pascal; Shen, Guoyin

doi:10.1103/physrevlett.83.4101

Cited by 173 publications

(138 citation statements)

References 20 publications

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“…It is not known whether their sample converted to the B8 structure stable under those conditions or not, but it could have been the B1 (or rB1) phase since at room temperature rB1 is general preserved metastably in the stability field of B8 phase [26,27]. The high-spin metallic region we find may be consistent with those experiments, and lattice strain, magnetic ordering, and non-stoichiometry could shift or broaden the range of metallization.…”

supporting

confidence: 79%

Experimental and Theoretical Evidence for Pressure-Induced Metallization in FeO with Rocksalt-Type Structure

Ohta¹,

Cohen²,

Hirose³

et al. 2012

Phys. Rev. Lett.

126

116

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Electrical conductivity of FeO was measured up to 141 GPa and 2480 K in a laserheated diamond-anvil cell. The results show that rock-salt (B1) type structured FeO metallizes at around 70 GPa and 1900 K without any structural phase transition. We computed fully self-consistently the electronic structure and the electrical conductivity of B1 FeO as a function of pressure and temperature, and found that although insulating as expected at ambient condition, B1 FeO metallizes at high temperatures, consistent with experiments. The observed metallization is related to spin crossover.

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supporting

confidence: 79%

Experimental and Theoretical Evidence for Pressure-Induced Metallization in FeO with Rocksalt-Type Structure

Ohta¹,

Cohen²,

Hirose³

et al. 2012

Phys. Rev. Lett.

126

116

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“…X-ray emission spectroscopy measurements were preformed on the undulator beam line at the Sector 13, Consortium for Advanced Radiation Sources, of the Advanced Photon Source at Argonne National Laboratory. The details of the experiments are similar to those described by Badro et al (11). With the focused beam (7 ϫ 7 m) entering through one of the two diamond anvils parallel to the load axis, the pressure gradient across the probed area was estimated at Ϯ5 GPa at 100 GPa.…”

Section: Experimental Methodsmentioning

confidence: 66%

Electronic spin state of iron in lower mantle perovskite

Struzhkin

Mao

et al. 2004

Proc. Natl. Acad. Sci. U.S.A.

Self Cite

170

111

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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. Pressureinduced 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.

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“…Moreover, such simulations erroneously predict an antiferromagnetic antiNiAs structure to be the lowest-energy phase. Different theoretical [76][77][78][79][80][81] and experimental [82,83] works on the high spin --low spin transition in the distorted NaCl structure produced very different results. Perhaps the simplest way to treat Mott insulators (such as FeO) is the DFT þ U method, its simplest formulation being due to Dudarev et al [84,85].…”

Section: Feomentioning

confidence: 99%

“…It has been shown experimentally [36] that between 60-70 GPa magnesiowüstite (Mg 0.83 ,Fe 0.17 )O undergoes a transition associated with high-spin to the lowPlanetary materials 533 1 In high-pressure literature this phase is commonly called magnesiowüstite (or, sometimes, ferropericlase), while it would be more correct to call it "Fe-bearing periclase". Here, we follow the more common notation.…”

Section: Periclase (Mgo)mentioning

confidence: 99%

Ab initio theory of planetary materials

Oganov

Price²,

Scandolo³

2005

Zeitschrift Für Kristallographie - Crystalline Materials

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Abstract. Ab initio simulations play an increasingly important role in the studies of deep planetary interiors. Here we review the current state of this field, concentrating on studies of the materials of the Earth's deep interior (MgO--SiO 2 --FeO--Al 2 O 3 , Fe--Si--S--O) and of the interiors of giant planets (H--He system, H 2 O--CH 4 --NH 3 system). In particular, novel phases and phase diagrams, insights into structural and electronic phase transitions, melting curves, thermoelasticity and the effects of impurities on physical properties of planet-forming materials are discussed.

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Magnetism in FeO at Megabar Pressures from X-Ray Emission Spectroscopy

Cited by 173 publications

References 20 publications

Experimental and Theoretical Evidence for Pressure-Induced Metallization in FeO with Rocksalt-Type Structure

Experimental and Theoretical Evidence for Pressure-Induced Metallization in FeO with Rocksalt-Type Structure

Electronic spin state of iron in lower mantle perovskite

Ab initio theory of planetary materials

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