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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…

地球物理 · 物理学 2022-05-04 Tianqi Wan , Yang Sun , Renata M. Wentzcovitch

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…

强关联电子 · 物理学 2015-06-23 Han Hsu , Renata M. Wentzcovitch

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…

材料科学 · 物理学 2015-06-23 Eero Holmstrom , Lars Stixrude

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…

地球物理 · 物理学 2026-03-24 Renata Wentzcovitch , Laura Cobden , Christine Houser , Grace Shephard , Jingyi Zhuang

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…

Earth's interior consists primarily of an insulating rocky mantle and a metallic iron-dominant core. Recent work has shown that mountain-scale structures at the core-mantle boundary may be highly enriched in FeO reported to exhibit high…

Earth's lower mantle is generally believed to be seismically and chemically homogeneous because most of the key seismic parameters can be explained using a simplified mineralogical model at expected press-temperature conditions. However,…

材料科学 · 物理学 2017-04-06 Shenzhen Xu , Jung-Fu Lin , Dane Morgan

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…

地球物理 · 物理学 2020-10-28 Michel L. Marcondes , Fawei Zheng , Renata M. Wentzcovitch

Fe-bearing MgO [(Mg$_{1-x}$Fe$_x$)O] is considered a major constituent of terrestrial exoplanets. Crystallizing in the B1 structure in the Earth's lower mantle, (Mg$_{1-x}$Fe$_x$)O undergoes a high-spin ($S=2$) to low-spin ($S=0$)…

材料科学 · 物理学 2022-05-20 Han Hsu , Koichiro Umemoto

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 ~…

地球物理 · 物理学 2016-10-05 Sergey S. Lobanov , Han Hsu , Jung-Fu Lin , Takashi Yoshino , Alexander F. Goncharov

Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-principles investigation on the properties of iron as an…

材料科学 · 物理学 2013-04-09 R. Larico , L. V. C. Assali , J. F. Justo

The magnetic pyrochlore oxide materials of general chemical formula R2Ti2O7 and R2Sn2O7 (R = rare earth) display a host of interesting physical behaviours depending on the flavour of rare earth ion. These properties depend on the value of…

统计力学 · 物理学 2015-06-24 Adrian G. Del Maestro , Michel J. P. Gingras

We present a detailed theoretical study of the electronic, magnetic, and structural properties of magnesiow\"ustite Fe$_{1-x}$Mg$_x$O with $x$ in the range between 0$-$0.875 using a fully charge self-consistent implementation of the density…

强关联电子 · 物理学 2017-08-24 I. Leonov , A. Ponomareva , R. Nazarov , I. A. Abrikosov

The thermoelastic properties of ferropericlase Mg1-xFexO (x = 0.1875) throughout the iron high-to-low spin crossover have been investigated by first principles at Earth's lower mantle conditions. This crossover has important consequences…

材料科学 · 物理学 2013-07-15 R. M. Wentzcovitch , J. F. Justo , Z. Wu , C. R. S. da Silva , D. A. Yuen , D. Kohlstedt

We demonstrate that the thermopower (S) can be used to probe the spin fluctuations (SFs) in proximity to the quantum critical point (QCP) in Fe-based superconductors. The sensitivity of S to the entropy of charge carriers allows us to…

超导电性 · 物理学 2013-06-24 S. Arsenijević , H. Hodovanets , R. Gaál , L. Forró , S. L. Bud'ko , P. C. Canfield

The results of magnetic and spectral properties calculation for paramagnetic phase of ferropericlase (Fe$_{1/4}$Mg$_{3/4}$)O at ambient and high pressures are reported. Calculations were performed by combined Local Density Approximation +…

材料科学 · 物理学 2014-11-21 N. A. Skorikov , A. O. Shorikov , S. L. Skornyakov , M. A. Korotin

Hexagonal ferrites do not only have enormous commercial impact ({\pounds}2 billion/year in sales) due to applications that include ultra-high density memories, credit card stripes, magnetic bar codes, small motors and low-loss microwave…

Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…

地球物理 · 物理学 2015-05-27 Han Hsu , Peter Blaha , Matteo Cococcioni , Renata M. Wentzcovitch

We report a systematic study of high magnetic field specific heat and resistivity in single crystals of CeCoIn_5 for the field oriented in the basal plane (H//ab) of this tetragonal heavy fermion superconductor. We observe a divergent…

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