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Related papers: Spin crossover in FeO under shock compression

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At extreme pressures of approximately 500 GPa, conditions characteristic of the deep interiors of super-Earths, the combination of NaCl-type MgO and post-perovskite-type MgSiO3 (PPv) has been reported to produce a post-PPv phase of Mg2SiO4…

Materials Science · Physics 2025-04-10 Tianqi Wan , Yang Sun , Renata M. Wentzcovitch

Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not…

X-ray diffraction studies to ~90 GPa at room temperature show that Fe$_{2}$TiO$_{4}$ ferrous inverse spinel undergoes the following sequence of structural transitions : cubic (Fd3m) to tetragonal (I41/amd)to orthorhombic(Cmcm) to…

Strongly Correlated Electrons · Physics 2018-09-25 W. M. Xu , G. R. Hearne , S. Layek , D. Levy , J-P. Itié , M. P. Pasternak , G. Kh. Rozenberg , E. Greenberg

MgGeO$_3$-perovskite is known to be a low-pressure analog of MgSiO$_3$-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigation of spin state changes in Fe-bearing MgGeO$_3$ might help…

Materials Science · Physics 2015-03-26 Gaurav Shukla , Mehmet Topsakal , Renata M. Wentzcovitch

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 +…

Materials Science · Physics 2014-11-21 N. A. Skorikov , A. O. Shorikov , S. L. Skornyakov , M. A. Korotin

Properties of iron oxides at the extreme conditions are of essential importance in condensed matter physics and Geophysics. The recent discovery of a new type of iron oxide, Fe4O5, at high pressure and high temperature of Earth's deep…

Strongly Correlated Electrons · Physics 2021-09-14 Aiqin Yang , Qiaoying Qin , Xiangru Tao , Shengli Zhang , Yongtao Zhao , Peng Zhang

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…

Materials Science · Physics 2013-04-09 R. Larico , L. V. C. Assali , J. F. Justo

Continuous quantum phase transitions involving all-in-all-out (AIAO) antiferromagnetic order in strongly spin-orbit-coupled 5d compounds could give rise to various exotic electronic phases and strongly-coupled quantum critical phenomena.…

Strongly Correlated Electrons · Physics 2020-07-01 Yishu Wang , T. F. Rosenbaum , D. Prabhakaran , A. T. Boothroyd , Yejun Feng

Spin-state crossover beyond a conventional ligand-field theory has been a fundamental issue in condensed matter physics. Here, we report microscopic observations of spin states and low-energy dynamics through orbital-resolved NMR…

Strongly Correlated Electrons · Physics 2018-01-01 Yasuhiro Shimizu , Takuya Takahashi , Syunpei Yamada , Ayako Shimokata , Takaaki Jin-no , Masayuki Itoh

We report the observation of spin glass state in the double perovskite oxide Sr$_{2}$FeCoO$_{6}$ prepared through sol-gel technique. Initial structural studies using x rays reveal that the compound crystallizes in tetragonal $I 4/m$…

In the scientific description of unconventional transport properties of oxides (spin-dependent transport, superconductivity etc.), the spin-state degree of freedom plays a fundamental role. Because of this, temperature- or magnetic…

Materials Science · Physics 2014-11-12 M. Rotter , Z. -S. Wang , A. T. Boothroyd , D. Prabhakaran , A. Tanaka , M. Doerr

The magnetic properties of the double perovskite oxide $Sr_{2}$FeMo$O_{6}$ are analyzed using a mixed-spin Ising model with spins $\left( \frac{1}{2},\frac{5}{2}\right) $ in the presence of a random crystal field $\Delta$ and exchange…

Statistical Mechanics · Physics 2025-03-10 Said Khaireddine , Redouane Assad , Mohammed El Falaki , Rachid Ahl Lamara , Lalla Btissam Drissi

We present in-situ x-ray diffraction and velocity measurements of Fe$_2$O$_3$ under laser shock compression at pressures between 38-116 GPa. None of the phases reported by static compression studies were observed. Instead, we observed an…

The electronic structure in the normal state of CeFeAsO0.89F0.11 oxypnictide superconductors has been investigated with x-ray absorption and photoemission spectroscopy. All the data exhibit signatures of Fe d-electron itinerancy. Exchange…

We report the first high pressure measurement of the Fe K-edge in hematite (Fe$_2$O$_3$) by X-ray absorption spectroscopy in partial fluorescence yield geometry. The pressure-induced evolution of the electronic structure as Fe$_2$O$_3$…

The spin order in cubic perovskite SrFeO3 and BaFeO3 under high pressure is studied by density functional theory (DFT) calculation with local spin density approximation plus Hubbard U (LSDA+U). At ambient pressure, A-type and G-type helical…

Strongly Correlated Electrons · Physics 2015-06-11 Zhi Li , Toshiaki Iitaka , Takami Tohyama

Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential…

Materials Science · Physics 2016-09-06 Hrishit Banerjee , Sudip Chakraborty , Tanusri Saha-Dasgupta

We report on a 59Co NMR investigation of the trigonal cobaltate Ca3Co2O6 carried out on a single crystal, providing precise determinations of the electric field gradient and chemical shift tensors, and of the internal magnetic fields at the…

Strongly Correlated Electrons · Physics 2015-05-20 G. Allodi , R. De Renzi , S. Agrestini , C. Mazzoli , M. R. Lees

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

We report results of muon spin rotation measurements performed on the ferromagnetic semiconductor EuO, which is one of the best approximations to a localized ferromagnet. We argue that implanted muons are sensitive to the internal field…

Materials Science · Physics 2010-09-15 S. J. Blundell , T. Lancaster , F. L. Pratt , P. J. Baker , W. Hayes , J. -P. Ansermet , A. Comment